N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide

C24H23F3N4O — CID 57435010

IUPACN-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)C1CC1
InChIInChI=1S/C24H23F3N4O/c25-24(26,27)12-22(32)31(19-7-8-19)13-15-2-1-3-16(10-15)17-4-9-21-20(11-17)23(29-14-28-21)30-18-5-6-18/h1-4,9-11,14,18-19H,5-8,12-13H2,(H,28,29,30)
InChIKeyXKVGXVYJHCVUMB-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.31
Rot. Bonds7

About N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 57435010) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
PubChem CID57435010
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)C1CC1
InChIInChI=1S/C24H23F3N4O/c25-24(26,27)12-22(32)31(19-7-8-19)13-15-2-1-3-16(10-15)17-4-9-21-20(11-17)23(29-14-28-21)30-18-5-6-18/h1-4,9-11,14,18-19H,5-8,12-13H2,(H,28,29,30)
InChIKeyXKVGXVYJHCVUMB-UHFFFAOYSA-N
XLogP5.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide with MolForge

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Related Compounds

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
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide
CID 68943724
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]-3-phenylpropanamide
CID 68946700
6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine
CID 68942507
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]-2,3,4,5,6-pentafluorobenzamide
CID 57434821
1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 57435013
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]cyclohexanecarboxamide
CID 68941191
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68947039

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide (CID 57435010) is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide?
The InChIKey is XKVGXVYJHCVUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c25-24(26,27)12-22(32)31(19-7-8-19)13-15-2-1-3-16(10-15)17-4-9-21-20(11-17)23(29-14-28-21)30-18-5-6-18/h1-4,9-11,14,18-19H,5-8,12-13H2,(H,28,29,30).
What are the key properties of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide?
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 440.47 g/mol, XLogP of 5.31, 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)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 57435010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).