1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane

C70H65Cl6N13O5 — CID 145048928

IUPAC1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane
SMILESC/C=C/C(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1C(N)=O.C=CC(=O)N1CCN(c2c(C#N)cnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC)nc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.CC
InChIInChI=1S/C23H21Cl2N5O2.C23H18Cl2N4O.C22H20Cl2N4O2.C2H6/c1-2-3-21(31)30-9-8-29(12-20(30)22(26)32)23-17-10-16(14-4-6-15(24)7-5-14)18(25)11-19(17)27-13-28-23;1-2-22(30)28-7-9-29(10-8-28)23-16(13-26)14-27-21-12-20(25)18(11-19(21)23)15-3-5-17(24)6-4-15;1-3-20(29)27-8-10-28(11-9-27)21-17-12-16(14-4-6-15(23)7-5-14)18(24)13-19(17)25-22(26-21)30-2;1-2/h2-7,10-11,13,20H,8-9,12H2,1H3,(H2,26,32);2-6,11-12,14H,1,7-10H2;3-7,12-13H,1,8-11H2,2H3;1-2H3/b3-2+;;;
InChIKeyMITYBQQARRMEBM-HZBIHQSRSA-N
MW1381.09 g/mol
LogP14.07
Rot. Bonds11

About 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane

1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane (PubChem CID 145048928) has the molecular formula C70H65Cl6N13O5 and a molecular weight of 1381.09 g/mol. Its IUPAC name is 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane.

Molecular Properties

Compound Name1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane
PubChem CID145048928
Molecular FormulaC70H65Cl6N13O5
Molecular Weight1381.09 g/mol
Exact Mass1377.34
IUPAC Name1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane
SMILESC/C=C/C(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1C(N)=O.C=CC(=O)N1CCN(c2c(C#N)cnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC)nc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.CC
InChIInChI=1S/C23H21Cl2N5O2.C23H18Cl2N4O.C22H20Cl2N4O2.C2H6/c1-2-3-21(31)30-9-8-29(12-20(30)22(26)32)23-17-10-16(14-4-6-15(24)7-5-14)18(25)11-19(17)27-13-28-23;1-2-22(30)28-7-9-29(10-8-28)23-16(13-26)14-27-21-12-20(25)18(11-19(21)23)15-3-5-17(24)6-4-15;1-3-20(29)27-8-10-28(11-9-27)21-17-12-16(14-4-6-15(23)7-5-14)18(24)13-19(17)25-22(26-21)30-2;1-2/h2-7,10-11,13,20H,8-9,12H2,1H3,(H2,26,32);2-6,11-12,14H,1,7-10H2;3-7,12-13H,1,8-11H2,2H3;1-2H3/b3-2+;;;
InChIKeyMITYBQQARRMEBM-HZBIHQSRSA-N
XLogP14.07
TPSA211.21 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.09
LogP ≤ 514.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane with MolForge

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Related Compounds

1-[1-Acetyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-2-yl]ethanone;2-amino-1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methylpiperazin-1-yl]ethanone;4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-(2-oxopropyl)piperazine-2-carbonitrile;1-[4-[6-chloro-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one
CID 157478171
9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 159036433
7-Chloro-4-(3-cyano-4-prop-2-enoylpiperazin-1-yl)quinazoline-6-carbonitrile;4-(7-chloro-6-cyanoquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 167576547
N-[4-[4-(2-tert-butylquinazolin-4-yl)piperazin-1-yl]butyl]-4-phenylpiperazine-1-carboxamide;N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]butyl]-4-phenylpiperazine-1-carboxamide;4-phenyl-N-[4-(4-quinolin-4-ylpiperazin-1-yl)butyl]piperazine-1-carboxamide
CID 117870922
N-[2-[7-chloro-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 117909038
(S)-1-acryloyl-4-(7-chloro-6-(4-chlorophenyl)quinazolin-4-yl)piperazine-2-carboxamide
CID 118010145
4-[7-Chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazine-2-carboxamide
CID 118010146
1-Acryloyl-4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide
CID 118010273
(E)-4-(7-Chloro-6-(4-chlorophenyl)quinazolin-4-yl)-1-(4-(dimethylamino)but-2-enoyl)piperazine-2-carbonitrile
CID 118010356
(E)-4-(7-Chloro-6-(4-chlorophenyl)quinazolin-4-yl)-1-(4-(dimethylamino)but-2-enoyl)piperazine-2-carboxamide
CID 118010357
(2R)-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazine-2-carboxamide
CID 118018909
4-[7-Chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-[4-(dimethylamino)but-2-enoyl]piperazine-2-carbonitrile
CID 123476802

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane?
The IUPAC name of 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane (CID 145048928) is 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane.
What is the SMILES notation for 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane?
The canonical SMILES for 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane is C/C=C/C(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1C(N)=O.C=CC(=O)N1CCN(c2c(C#N)cnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC)nc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.CC.
What is the InChIKey of 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane?
The InChIKey is MITYBQQARRMEBM-HZBIHQSRSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2.C23H18Cl2N4O.C22H20Cl2N4O2.C2H6/c1-2-3-21(31)30-9-8-29(12-20(30)22(26)32)23-17-10-16(14-4-6-15(24)7-5-14)18(25)11-19(17)27-13-28-23;1-2-22(30)28-7-9-29(10-8-28)23-16(13-26)14-27-21-12-20(25)18(11-19(21)23)15-3-5-17(24)6-4-15;1-3-20(29)27-8-10-28(11-9-27)21-17-12-16(14-4-6-15(23)7-5-14)18(24)13-19(17)25-22(26-21)30-2;1-2/h2-7,10-11,13,20H,8-9,12H2,1H3,(H2,26,32);2-6,11-12,14H,1,7-10H2;3-7,12-13H,1,8-11H2,2H3;1-2H3/b3-2+;;;.
What are the key properties of 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane?
1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane has a molecular weight of 1381.09 g/mol, XLogP of 14.07, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoyl]-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxamide;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-(4-chlorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile;ethane is sourced from PubChem (CID 145048928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).