N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide

C29H26F2N4O — CID 57434885

IUPACN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide
SMILESCc1cc2ncnc(NC3CC3)c2cc1-c1cccc(CN(C(=O)c2ccc(F)cc2F)C2CC2)c1
InChIInChI=1S/C29H26F2N4O/c1-17-11-27-25(28(33-16-32-27)34-21-6-7-21)14-24(17)19-4-2-3-18(12-19)15-35(22-8-9-22)29(36)23-10-5-20(30)13-26(23)31/h2-5,10-14,16,21-22H,6-9,15H2,1H3,(H,32,33,34)
InChIKeyCEDQBHVHKUQDHO-UHFFFAOYSA-N
MW484.55 g/mol
LogP6.26
Rot. Bonds7

About N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide (PubChem CID 57434885) has the molecular formula C29H26F2N4O and a molecular weight of 484.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide
PubChem CID57434885
Molecular FormulaC29H26F2N4O
Molecular Weight484.55 g/mol
Exact Mass484.21
IUPAC NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide
SMILESCc1cc2ncnc(NC3CC3)c2cc1-c1cccc(CN(C(=O)c2ccc(F)cc2F)C2CC2)c1
InChIInChI=1S/C29H26F2N4O/c1-17-11-27-25(28(33-16-32-27)34-21-6-7-21)14-24(17)19-4-2-3-18(12-19)15-35(22-8-9-22)29(36)23-10-5-20(30)13-26(23)31/h2-5,10-14,16,21-22H,6-9,15H2,1H3,(H,32,33,34)
InChIKeyCEDQBHVHKUQDHO-UHFFFAOYSA-N
XLogP6.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide
CID 57434867
N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide
CID 68944161
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
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]thiophene-2-carboxamide
CID 68947039
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 57435011
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide
CID 68943724
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]-2,3,4,5,6-pentafluorobenzamide
CID 57434821
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68942481
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]cyclohexanecarboxamide
CID 68941191
N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide
CID 68945376
N-[[2-chloro-5-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 57434909

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide?
The IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide (CID 57434885) is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide is Cc1cc2ncnc(NC3CC3)c2cc1-c1cccc(CN(C(=O)c2ccc(F)cc2F)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide?
The InChIKey is CEDQBHVHKUQDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N4O/c1-17-11-27-25(28(33-16-32-27)34-21-6-7-21)14-24(17)19-4-2-3-18(12-19)15-35(22-8-9-22)29(36)23-10-5-20(30)13-26(23)31/h2-5,10-14,16,21-22H,6-9,15H2,1H3,(H,32,33,34).
What are the key properties of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide?
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide has a molecular weight of 484.55 g/mol, XLogP of 6.26, 7 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)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide is sourced from PubChem (CID 57434885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).