N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide

C24H29N3O2 — CID 42719114

IUPACN,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(C)C(=O)CC(C)C
InChIInChI=1S/C24H29N3O2/c1-6-21(26(5)22(28)14-16(2)3)23-25-20-13-8-7-12-19(20)24(29)27(23)18-11-9-10-17(4)15-18/h7-13,15-16,21H,6,14H2,1-5H3
InChIKeyPEDJWIGNLFPBPU-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.65
Rot. Bonds6

About N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide

N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide (PubChem CID 42719114) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
PubChem CID42719114
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(C)C(=O)CC(C)C
InChIInChI=1S/C24H29N3O2/c1-6-21(26(5)22(28)14-16(2)3)23-25-20-13-8-7-12-19(20)24(29)27(23)18-11-9-10-17(4)15-18/h7-13,15-16,21H,6,14H2,1-5H3
InChIKeyPEDJWIGNLFPBPU-UHFFFAOYSA-N
XLogP4.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719199
4-tert-butyl-N-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3941943
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
2-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylacetamide
CID 3905892
N-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 42721102
ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42719134
2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide
CID 42718469
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
CID 4600532
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
2,2-dichloro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42718464

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide?
The IUPAC name of N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide (CID 42719114) is N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide.
What is the SMILES notation for N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide?
The canonical SMILES for N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide is CCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(C)C(=O)CC(C)C.
What is the InChIKey of N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide?
The InChIKey is PEDJWIGNLFPBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-6-21(26(5)22(28)14-16(2)3)23-25-20-13-8-7-12-19(20)24(29)27(23)18-11-9-10-17(4)15-18/h7-13,15-16,21H,6,14H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide?
N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide has a molecular weight of 391.52 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide is sourced from PubChem (CID 42719114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).