4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide

C24H29N5O2 — CID 70696348

IUPAC4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H29N5O2/c1-16(2)26-23(30)18-6-5-17(3)22(13-18)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(4)10-12-28/h5-8,13-16H,9-12H2,1-4H3,(H,26,30)
InChIKeyHEQNUTDAQBNSDS-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.58
Rot. Bonds4

About 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide

4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 70696348) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide
PubChem CID70696348
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H29N5O2/c1-16(2)26-23(30)18-6-5-17(3)22(13-18)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(4)10-12-28/h5-8,13-16H,9-12H2,1-4H3,(H,26,30)
InChIKeyHEQNUTDAQBNSDS-UHFFFAOYSA-N
XLogP2.58
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Azd-6703
CID 11373432
(-)-6,7,7a,8-Tetrahydroquinazolino(3',2':1,6)pyrido(2,3-b)(1,4)benzodiazepine-9,16-dione
CID 130919
ME0328
CID 135566764
2-Amino-4',4''-bis(5-methyl-2-imidazolin-2-yl)terephthalanilide
CID 24650
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
2-amino-1-N,4-N-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 413631
2-amino-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 413634
1-{5-[3-(7-Tert-Butyl-4-Oxoquinazolin-3(4h)-Yl)-2-Methylphenyl]-1-Methyl-2-Oxo-1,2-Dihydropyridin-3-Yl}-3-Methylurea
CID 25264450
(3r)-N-[3-(3,4-Dihydroquinolin-1(2h)-Yl)propyl]-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinoxaline-5-Carboxamide
CID 60149330
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
CID 66688896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide (CID 70696348) is 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)NC(C)C)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is HEQNUTDAQBNSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16(2)26-23(30)18-6-5-17(3)22(13-18)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(4)10-12-28/h5-8,13-16H,9-12H2,1-4H3,(H,26,30).
What are the key properties of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide?
4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 419.53 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 70696348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).