N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide

C31H32N4O — CID 68946700

IUPACN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide
SMILESCc1nc(NC2CC2)c2cc(-c3cccc(CN(C(=O)CCc4ccccc4)C4CC4)c3)ccc2n1
InChIInChI=1S/C31H32N4O/c1-21-32-29-16-11-25(19-28(29)31(33-21)34-26-12-13-26)24-9-5-8-23(18-24)20-35(27-14-15-27)30(36)17-10-22-6-3-2-4-7-22/h2-9,11,16,18-19,26-27H,10,12-15,17,20H2,1H3,(H,32,33,34)
InChIKeyCCCJTFXBQFCSAQ-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.30
Rot. Bonds9

About N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide (PubChem CID 68946700) has the molecular formula C31H32N4O and a molecular weight of 476.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide
PubChem CID68946700
Molecular FormulaC31H32N4O
Molecular Weight476.62 g/mol
Exact Mass476.26
IUPAC NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide
SMILESCc1nc(NC2CC2)c2cc(-c3cccc(CN(C(=O)CCc4ccccc4)C4CC4)c3)ccc2n1
InChIInChI=1S/C31H32N4O/c1-21-32-29-16-11-25(19-28(29)31(33-21)34-26-12-13-26)24-9-5-8-23(18-24)20-35(27-14-15-27)30(36)17-10-22-6-3-2-4-7-22/h2-9,11,16,18-19,26-27H,10,12-15,17,20H2,1H3,(H,32,33,34)
InChIKeyCCCJTFXBQFCSAQ-UHFFFAOYSA-N
XLogP6.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 68944181
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68942481
N-cyclopropyl-3-phenyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]propanamide
CID 68947229
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 68946711
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide
CID 68946087
2,4-dichloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]benzenesulfonamide
CID 68943518
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-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide
CID 68943724
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide (CID 68946700) is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide is Cc1nc(NC2CC2)c2cc(-c3cccc(CN(C(=O)CCc4ccccc4)C4CC4)c3)ccc2n1.
What is the InChIKey of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide?
The InChIKey is CCCJTFXBQFCSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O/c1-21-32-29-16-11-25(19-28(29)31(33-21)34-26-12-13-26)24-9-5-8-23(18-24)20-35(27-14-15-27)30(36)17-10-22-6-3-2-4-7-22/h2-9,11,16,18-19,26-27H,10,12-15,17,20H2,1H3,(H,32,33,34).
What are the key properties of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide?
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide has a molecular weight of 476.62 g/mol, XLogP of 6.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 68946700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).