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

C27H32N4O — CID 68944181

IUPACN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCc1nc(NC2CC2)c2cc(-c3cccc(CN(C(=O)C(C)(C)C)C4CC4)c3)ccc2n1
InChIInChI=1S/C27H32N4O/c1-17-28-24-13-8-20(15-23(24)25(29-17)30-21-9-10-21)19-7-5-6-18(14-19)16-31(22-11-12-22)26(32)27(2,3)4/h5-8,13-15,21-22H,9-12,16H2,1-4H3,(H,28,29,30)
InChIKeyITQZQHJLJJWIHB-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.72
Rot. Bonds6

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

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 68944181) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID68944181
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCc1nc(NC2CC2)c2cc(-c3cccc(CN(C(=O)C(C)(C)C)C4CC4)c3)ccc2n1
InChIInChI=1S/C27H32N4O/c1-17-28-24-13-8-20(15-23(24)25(29-17)30-21-9-10-21)19-7-5-6-18(14-19)16-31(22-11-12-22)26(32)27(2,3)4/h5-8,13-15,21-22H,9-12,16H2,1-4H3,(H,28,29,30)
InChIKeyITQZQHJLJJWIHB-UHFFFAOYSA-N
XLogP5.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide
CID 68946700
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68942481
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 68946711
2,4-dichloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]benzenesulfonamide
CID 68943518
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 57435010
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide
CID 68946087
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 57435011
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
N-cyclopropyl-3-phenyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]propanamide
CID 68947229
N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide
CID 68945376
1-[[3-[4-(cyclopropylamino)-2-phenylquinazolin-6-yl]phenyl]methyl]pyrrolidine-2,5-dione
CID 57435052
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide
CID 68944022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide (CID 68944181) is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide is Cc1nc(NC2CC2)c2cc(-c3cccc(CN(C(=O)C(C)(C)C)C4CC4)c3)ccc2n1.
What is the InChIKey of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is ITQZQHJLJJWIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-17-28-24-13-8-20(15-23(24)25(29-17)30-21-9-10-21)19-7-5-6-18(14-19)16-31(22-11-12-22)26(32)27(2,3)4/h5-8,13-15,21-22H,9-12,16H2,1-4H3,(H,28,29,30).
What are the key properties of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide?
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 428.58 g/mol, XLogP of 5.72, 6 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 68944181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).