4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide

C27H26N6O3 — CID 66763033

IUPAC4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)ncnc12
InChIInChI=1S/C27H26N6O3/c28-25(34)22-5-2-6-23-24(22)30-17-31-26(23)29-16-18-3-1-4-20(15-18)32-27(35)19-7-9-21(10-8-19)33-11-13-36-14-12-33/h1-10,15,17H,11-14,16H2,(H2,28,34)(H,32,35)(H,29,30,31)
InChIKeyQGTVJLQYTUPQRC-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.43
Rot. Bonds7

About 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763033) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763033
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)ncnc12
InChIInChI=1S/C27H26N6O3/c28-25(34)22-5-2-6-23-24(22)30-17-31-26(23)29-16-18-3-1-4-20(15-18)32-27(35)19-7-9-21(10-8-19)33-11-13-36-14-12-33/h1-10,15,17H,11-14,16H2,(H2,28,34)(H,32,35)(H,29,30,31)
InChIKeyQGTVJLQYTUPQRC-UHFFFAOYSA-N
XLogP3.43
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide with MolForge

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Related Compounds

4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638692
4-[[3-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762042
4-[[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638542
4-[[3-[[4-(1H-imidazol-2-yl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763542
4-[[3-[[3-(3-methoxypropoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763383
4-[[3-[[2-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763633
tert-butyl N-[3-[[3-[[(8-carbamoylquinazolin-4-yl)amino]methyl]phenyl]carbamoyl]phenyl]-N-methylcarbamate
CID 66762340
CID 89044301
CID 89044301
4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763665
4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 148696333
4-[[3-[[4-[3-(dimethylamino)propoxy]benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638634
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763033) is 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)ncnc12.
What is the InChIKey of 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is QGTVJLQYTUPQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c28-25(34)22-5-2-6-23-24(22)30-17-31-26(23)29-16-18-3-1-4-20(15-18)32-27(35)19-7-9-21(10-8-19)33-11-13-36-14-12-33/h1-10,15,17H,11-14,16H2,(H2,28,34)(H,32,35)(H,29,30,31).
What are the key properties of 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).