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

C24H27N5O2 — CID 11350585

IUPACN-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(N3CCN[C@@H](C)C3)cc2c1=O
InChIInChI=1S/C24H27N5O2/c1-15-3-4-17(23(30)27-18-5-6-18)11-22(15)29-14-26-21-8-7-19(12-20(21)24(29)31)28-10-9-25-16(2)13-28/h3-4,7-8,11-12,14,16,18,25H,5-6,9-10,13H2,1-2H3,(H,27,30)/t16-/m0/s1
InChIKeyHUQMWTGCAYHNEJ-INIZCTEOSA-N
MW417.51 g/mol
LogP2.38
Rot. Bonds4

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

N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide (PubChem CID 11350585) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
PubChem CID11350585
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(N3CCN[C@@H](C)C3)cc2c1=O
InChIInChI=1S/C24H27N5O2/c1-15-3-4-17(23(30)27-18-5-6-18)11-22(15)29-14-26-21-8-7-19(12-20(21)24(29)31)28-10-9-25-16(2)13-28/h3-4,7-8,11-12,14,16,18,25H,5-6,9-10,13H2,1-2H3,(H,27,30)/t16-/m0/s1
InChIKeyHUQMWTGCAYHNEJ-INIZCTEOSA-N
XLogP2.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
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-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide
CID 66918958
N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide
CID 11271381
N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
CID 11316420
(3S)-3-[3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-oxoquinazolin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 66919096
3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 66919080
N-cyclopropyl-3-[6-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918975
N-cyclopropyl-3-[6-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918995
N-cyclopropyl-3-[6-[2-(dimethylamino)ethylsulfonyl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918993
N-cyclopropyl-3-[6-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918846
N-cyclopropyl-3-[6-[1-(2-hydroxypropyl)piperidin-4-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918938
N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918934

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide (CID 11350585) is N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(N3CCN[C@@H](C)C3)cc2c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is HUQMWTGCAYHNEJ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-3-4-17(23(30)27-18-5-6-18)11-22(15)29-14-26-21-8-7-19(12-20(21)24(29)31)28-10-9-25-16(2)13-28/h3-4,7-8,11-12,14,16,18,25H,5-6,9-10,13H2,1-2H3,(H,27,30)/t16-/m0/s1.
What are the key properties of N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide?
N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 11350585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).