4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

C24H22N6O3 — CID 66763098

IUPAC4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
InChIInChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)
InChIKeyGTUAZZUFAUMXII-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.56
Rot. Bonds7

About 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 66763098) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID66763098
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
InChIInChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)
InChIKeyGTUAZZUFAUMXII-UHFFFAOYSA-N
XLogP3.56
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide with MolForge

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Related Compounds

[2-Azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
CID 137333967
4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273414
2-Amino-N-[4-Methoxy-3-(Trifluoromethyl)phenyl]-4-Methyl-3-[2-(Methylamino)quinazolin-6-Yl]benzamide
CID 86583042
3-{[3-Carbamoyl-7-(2,4-Dimethoxypyrimidin-5-Yl)quinolin-4-Yl]amino}benzoic Acid
CID 57336253
4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquinazoline-8-carboxamide
CID 51003485
2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile
CID 155533050
N-(2-methoxyethyl)-4-[[6-(3-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzamide
CID 71584401
4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide
CID 14896600
N-(2-aminophenyl)-4-[[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 20786071
3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2(1H)-one
CID 24879309
3-(2-aminoquinazolin-6-yl)-1-(3-methoxyphenyl)-4-methylpyridin-2(1H)-one
CID 24879310
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinolin-6-yl)-6-phenoxynicotinamide
CID 44407966

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (CID 66763098) is 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is COc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1.
What is the InChIKey of 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is GTUAZZUFAUMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29).
What are the key properties of 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).