N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide

C24H24F3N5O2 — CID 11271381

IUPACN-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(c2ccc3ncn(-c4cc(C(=O)NC5CC5)ccc4C(F)(F)F)c(=O)c3c2)CC1
InChIInChI=1S/C24H24F3N5O2/c1-30-8-10-31(11-9-30)17-5-7-20-18(13-17)23(34)32(14-28-20)21-12-15(22(33)29-16-3-4-16)2-6-19(21)24(25,26)27/h2,5-7,12-14,16H,3-4,8-11H2,1H3,(H,29,33)
InChIKeyHZHWAPHPNQXMFC-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.05
Rot. Bonds4

About N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide

N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 11271381) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID11271381
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(c2ccc3ncn(-c4cc(C(=O)NC5CC5)ccc4C(F)(F)F)c(=O)c3c2)CC1
InChIInChI=1S/C24H24F3N5O2/c1-30-8-10-31(11-9-30)17-5-7-20-18(13-17)23(34)32(14-28-20)21-12-15(22(33)29-16-3-4-16)2-6-19(21)24(25,26)27/h2,5-7,12-14,16H,3-4,8-11H2,1H3,(H,29,33)
InChIKeyHZHWAPHPNQXMFC-UHFFFAOYSA-N
XLogP3.05
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918991
N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
CID 11350585
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161
N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
CID 11316420
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 70687994
N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide
CID 66918958
3,5-difluoro-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 22238193
3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 22238167
methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate
CID 68603298
N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
CID 53015892
N-cyclopropyl-3-[6-[2-(dimethylamino)ethylsulfonyl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918993
3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 66919080

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide (CID 11271381) is N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide is CN1CCN(c2ccc3ncn(-c4cc(C(=O)NC5CC5)ccc4C(F)(F)F)c(=O)c3c2)CC1.
What is the InChIKey of N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is HZHWAPHPNQXMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-30-8-10-31(11-9-30)17-5-7-20-18(13-17)23(34)32(14-28-20)21-12-15(22(33)29-16-3-4-16)2-6-19(21)24(25,26)27/h2,5-7,12-14,16H,3-4,8-11H2,1H3,(H,29,33).
What are the key properties of N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide?
N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 471.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11271381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).