N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane

C24H30N4O2 — CID 155728729

IUPACN-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane
SMILESC=C(CNc1ncnc2c(OC)cc(-c3ccc(C)cn3)cc12)O/C(C)=C\C.CC
InChIInChI=1S/C22H24N4O2.C2H6/c1-6-15(3)28-16(4)12-24-22-18-9-17(19-8-7-14(2)11-23-19)10-20(27-5)21(18)25-13-26-22;1-2/h6-11,13H,4,12H2,1-3,5H3,(H,24,25,26);1-2H3/b15-6-;
InChIKeyIJYHRDUJYYXCRV-PSUINESXSA-N
MW406.53 g/mol
LogP5.90
Rot. Bonds7

About N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane

N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane (PubChem CID 155728729) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane.

Molecular Properties

Compound NameN-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane
PubChem CID155728729
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane
SMILESC=C(CNc1ncnc2c(OC)cc(-c3ccc(C)cn3)cc12)O/C(C)=C\C.CC
InChIInChI=1S/C22H24N4O2.C2H6/c1-6-15(3)28-16(4)12-24-22-18-9-17(19-8-7-14(2)11-23-19)10-20(27-5)21(18)25-13-26-22;1-2/h6-11,13H,4,12H2,1-3,5H3,(H,24,25,26);1-2H3/b15-6-;
InChIKeyIJYHRDUJYYXCRV-PSUINESXSA-N
XLogP5.90
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine
CID 155728631
8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
CID 175571129
2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane
CID 167419750
(2E)-3-[[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]methyl]penta-2,4-dienethial
CID 155364863
8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155728177
8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine
CID 155340210
N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 155354079
6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340253
6-bromo-8-methoxy-N-[(Z)-2-methylidene-5-methyliminohex-3-enyl]quinazolin-4-amine
CID 155728836
N-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155364757
N-[(5-chloropyrimidin-2-yl)methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728512
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane?
The IUPAC name of N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane (CID 155728729) is N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane.
What is the SMILES notation for N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane?
The canonical SMILES for N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane is C=C(CNc1ncnc2c(OC)cc(-c3ccc(C)cn3)cc12)O/C(C)=C\C.CC.
What is the InChIKey of N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane?
The InChIKey is IJYHRDUJYYXCRV-PSUINESXSA-N. The full InChI is InChI=1S/C22H24N4O2.C2H6/c1-6-15(3)28-16(4)12-24-22-18-9-17(19-8-7-14(2)11-23-19)10-20(27-5)21(18)25-13-26-22;1-2/h6-11,13H,4,12H2,1-3,5H3,(H,24,25,26);1-2H3/b15-6-;.
What are the key properties of N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane?
N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane has a molecular weight of 406.53 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane is sourced from PubChem (CID 155728729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).