4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide

C30H32N6O2 — CID 58829986

IUPAC4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
SMILESCNc1ncc2cc(-c3cc(C(=O)Nc4cc(C)ccc4NC(=O)CN4CCCC4)ccc3C)ccc2n1
InChIInChI=1S/C30H32N6O2/c1-19-6-10-26(33-28(37)18-36-12-4-5-13-36)27(14-19)34-29(38)22-8-7-20(2)24(16-22)21-9-11-25-23(15-21)17-32-30(31-3)35-25/h6-11,14-17H,4-5,12-13,18H2,1-3H3,(H,33,37)(H,34,38)(H,31,32,35)
InChIKeyUZGOQWIVQUOGAK-UHFFFAOYSA-N
MW508.63 g/mol
LogP5.24
Rot. Bonds7

About 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide

4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide (PubChem CID 58829986) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
PubChem CID58829986
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC Name4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
SMILESCNc1ncc2cc(-c3cc(C(=O)Nc4cc(C)ccc4NC(=O)CN4CCCC4)ccc3C)ccc2n1
InChIInChI=1S/C30H32N6O2/c1-19-6-10-26(33-28(37)18-36-12-4-5-13-36)27(14-19)34-29(38)22-8-7-20(2)24(16-22)21-9-11-25-23(15-21)17-32-30(31-3)35-25/h6-11,14-17H,4-5,12-13,18H2,1-3H3,(H,33,37)(H,34,38)(H,31,32,35)
InChIKeyUZGOQWIVQUOGAK-UHFFFAOYSA-N
XLogP5.24
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide with MolForge

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Related Compounds

N-[2-[[2-(diethylamino)acetyl]amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 15991575
4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[3-(2-methylpyrrolidin-1-yl)-2-pyridinyl]benzamide
CID 58829773
3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 58829952
4-methyl-3-[2-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-N-[2-(pyrrolidine-1-carbonyl)-5-(trifluoromethyl)phenyl]benzamide
CID 58829098
4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]benzamide
CID 58829670
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
ethyl 3,3-dimethyl-6-[[4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzoyl]amino]-2H-indole-1-carboxylate
CID 58829054
N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-[4-(3-piperidin-1-ylpropoxy)anilino]quinazolin-6-yl]benzamide
CID 58829472
N-[2-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 58830060
N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 58829995
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
tert-butyl 2-[[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58829804

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide (CID 58829986) is 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide is CNc1ncc2cc(-c3cc(C(=O)Nc4cc(C)ccc4NC(=O)CN4CCCC4)ccc3C)ccc2n1.
What is the InChIKey of 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
The InChIKey is UZGOQWIVQUOGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-19-6-10-26(33-28(37)18-36-12-4-5-13-36)27(14-19)34-29(38)22-8-7-20(2)24(16-22)21-9-11-25-23(15-21)17-32-30(31-3)35-25/h6-11,14-17H,4-5,12-13,18H2,1-3H3,(H,33,37)(H,34,38)(H,31,32,35).
What are the key properties of 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide?
4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide has a molecular weight of 508.63 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(methylamino)quinazolin-6-yl]-N-[5-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 58829986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).