N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide

C34H32N4O3 — CID 57434863

IUPACN-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)c5ccccc5)C5CC5)c4)cc23)c(OC)c1
InChIInChI=1S/C34H32N4O3/c1-40-29-15-11-27(32(19-29)41-2)20-35-33-30-18-26(12-16-31(30)36-22-37-33)25-10-6-7-23(17-25)21-38(28-13-14-28)34(39)24-8-4-3-5-9-24/h3-12,15-19,22,28H,13-14,20-21H2,1-2H3,(H,35,36,37)
InChIKeyOAJBWVKRVPGAHB-UHFFFAOYSA-N
MW544.66 g/mol
LogP6.73
Rot. Bonds10

About N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide

N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide (PubChem CID 57434863) has the molecular formula C34H32N4O3 and a molecular weight of 544.66 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide
PubChem CID57434863
Molecular FormulaC34H32N4O3
Molecular Weight544.66 g/mol
Exact Mass544.25
IUPAC NameN-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)c5ccccc5)C5CC5)c4)cc23)c(OC)c1
InChIInChI=1S/C34H32N4O3/c1-40-29-15-11-27(32(19-29)41-2)20-35-33-30-18-26(12-16-31(30)36-22-37-33)25-10-6-7-23(17-25)21-38(28-13-14-28)34(39)24-8-4-3-5-9-24/h3-12,15-19,22,28H,13-14,20-21H2,1-2H3,(H,35,36,37)
InChIKeyOAJBWVKRVPGAHB-UHFFFAOYSA-N
XLogP6.73
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide
CID 57434876
N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide
CID 57434867
N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68948207
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide
CID 68944022
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68949355
N-cyclopropyl-3-phenyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]propanamide
CID 68947229
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 57435011
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 57435010
N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide
CID 38283237

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide (CID 57434863) is N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide is COc1ccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)c5ccccc5)C5CC5)c4)cc23)c(OC)c1.
What is the InChIKey of N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide?
The InChIKey is OAJBWVKRVPGAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O3/c1-40-29-15-11-27(32(19-29)41-2)20-35-33-30-18-26(12-16-31(30)36-22-37-33)25-10-6-7-23(17-25)21-38(28-13-14-28)34(39)24-8-4-3-5-9-24/h3-12,15-19,22,28H,13-14,20-21H2,1-2H3,(H,35,36,37).
What are the key properties of N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide?
N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide has a molecular weight of 544.66 g/mol, XLogP of 6.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 57434863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).