4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane

C16H19ClN6O — CID 144829202

IUPAC4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane
SMILESCC.N#Cc1cc2c(N3CCNC(C(N)=O)C3)ncnc2cc1Cl
InChIInChI=1S/C14H13ClN6O.C2H6/c15-10-4-11-9(3-8(10)5-16)14(20-7-19-11)21-2-1-18-12(6-21)13(17)22;1-2/h3-4,7,12,18H,1-2,6H2,(H2,17,22);1-2H3
InChIKeyGRTYSACPOLCXBX-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.44
Rot. Bonds2

About 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane

4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane (PubChem CID 144829202) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane.

Molecular Properties

Compound Name4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane
PubChem CID144829202
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane
SMILESCC.N#Cc1cc2c(N3CCNC(C(N)=O)C3)ncnc2cc1Cl
InChIInChI=1S/C14H13ClN6O.C2H6/c15-10-4-11-9(3-8(10)5-16)14(20-7-19-11)21-2-1-18-12(6-21)13(17)22;1-2/h3-4,7,12,18H,1-2,6H2,(H2,17,22);1-2H3
InChIKeyGRTYSACPOLCXBX-UHFFFAOYSA-N
XLogP1.44
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid
CID 123476126
4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide
CID 136548844
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 22110109
4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile
CID 118019018
tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;ethane
CID 144829282
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
2-[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]-2-(methanesulfonamido)acetic acid
CID 146331844
tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 118010462
N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
CID 142582846
2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-3-fluorobenzonitrile
CID 118018950
6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
CID 143607812
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane?
The IUPAC name of 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane (CID 144829202) is 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane.
What is the SMILES notation for 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane?
The canonical SMILES for 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane is CC.N#Cc1cc2c(N3CCNC(C(N)=O)C3)ncnc2cc1Cl.
What is the InChIKey of 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane?
The InChIKey is GRTYSACPOLCXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O.C2H6/c15-10-4-11-9(3-8(10)5-16)14(20-7-19-11)21-2-1-18-12(6-21)13(17)22;1-2/h3-4,7,12,18H,1-2,6H2,(H2,17,22);1-2H3.
What are the key properties of 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane?
4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane has a molecular weight of 346.82 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane is sourced from PubChem (CID 144829202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).