N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C22H24N4O3 — CID 134016250

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N(CCC(N)=O)Cc3ccccc3)cnc12
InChIInChI=1S/C22H24N4O3/c1-16-6-5-9-18-21(16)24-15-26(22(18)29)13-11-20(28)25(12-10-19(23)27)14-17-7-3-2-4-8-17/h2-9,15H,10-14H2,1H3,(H2,23,27)
InChIKeyORWHCPXGTODCKF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.00
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 134016250) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID134016250
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N(CCC(N)=O)Cc3ccccc3)cnc12
InChIInChI=1S/C22H24N4O3/c1-16-6-5-9-18-21(16)24-15-26(22(18)29)13-11-20(28)25(12-10-19(23)27)14-17-7-3-2-4-8-17/h2-9,15H,10-14H2,1H3,(H2,23,27)
InChIKeyORWHCPXGTODCKF-UHFFFAOYSA-N
XLogP2.00
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide
CID 24555681
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-(2-aminoethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
CID 120884912
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
N-benzyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 37428295
N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24535110

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 134016250) is N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)N(CCC(N)=O)Cc3ccccc3)cnc12.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is ORWHCPXGTODCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-6-5-9-18-21(16)24-15-26(22(18)29)13-11-20(28)25(12-10-19(23)27)14-17-7-3-2-4-8-17/h2-9,15H,10-14H2,1H3,(H2,23,27).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 134016250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).