4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid

C26H24N6O4 — CID 140638717

IUPAC4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
SMILESO=C(Nc1cccc(CNc2ncnc3c(C(=O)O)cccc23)c1)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C26H24N6O4/c33-25(18-12-20(15-27-14-18)32-7-9-36-10-8-32)31-19-4-1-3-17(11-19)13-28-24-21-5-2-6-22(26(34)35)23(21)29-16-30-24/h1-6,11-12,14-16H,7-10,13H2,(H,31,33)(H,34,35)(H,28,29,30)
InChIKeyONUKHDTVMXKYMW-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.42
Rot. Bonds7

About 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid

4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid (PubChem CID 140638717) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
PubChem CID140638717
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
SMILESO=C(Nc1cccc(CNc2ncnc3c(C(=O)O)cccc23)c1)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C26H24N6O4/c33-25(18-12-20(15-27-14-18)32-7-9-36-10-8-32)31-19-4-1-3-17(11-19)13-28-24-21-5-2-6-22(26(34)35)23(21)29-16-30-24/h1-6,11-12,14-16H,7-10,13H2,(H,31,33)(H,34,35)(H,28,29,30)
InChIKeyONUKHDTVMXKYMW-UHFFFAOYSA-N
XLogP3.42
TPSA129.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid with MolForge

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Related Compounds

2-{[2-(Quinolin-6-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647266
3,5-Dianilinopyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53316960
4-[[3-[[4-(Hydroxymethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762042
4-[[3-[[6-[2-Methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763531
4-[[3-[[6-[2-Hydroxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763975
4-[[3-[(2-Piperidin-1-ylpyridine-4-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 68078742
4-[[3-[(6-Morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 68078800
ethyl 5-[[5-[(1S)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]cyclohexa-1,5-dien-1-yl]carbamoyl]pyridine-2-carboxylate
CID 68078822
4-[[3-[[6-(2-Methoxyethylamino)pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 68081620
US11866436, Example 70
CID 164915032
US11866436, Example 69
CID 164915224
2-[(2-Phenylquinazolin-4-yl)amino]ethyl pyridine-3-carboxylate
CID 1643484

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The IUPAC name of 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid (CID 140638717) is 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The canonical SMILES for 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid is O=C(Nc1cccc(CNc2ncnc3c(C(=O)O)cccc23)c1)c1cncc(N2CCOCC2)c1.
What is the InChIKey of 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The InChIKey is ONUKHDTVMXKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c33-25(18-12-20(15-27-14-18)32-7-9-36-10-8-32)31-19-4-1-3-17(11-19)13-28-24-21-5-2-6-22(26(34)35)23(21)29-16-30-24/h1-6,11-12,14-16H,7-10,13H2,(H,31,33)(H,34,35)(H,28,29,30).
What are the key properties of 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid has a molecular weight of 484.52 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid is sourced from PubChem (CID 140638717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).