N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C23H28N4O2 — CID 55694713

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C23H28N4O2/c1-17(2)26(3)15-19-9-5-4-8-18(19)14-24-22(28)12-13-27-16-25-21-11-7-6-10-20(21)23(27)29/h4-11,16-17H,12-15H2,1-3H3,(H,24,28)
InChIKeyYQKLMRRKCDVYHO-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.94
Rot. Bonds8

About N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 55694713) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID55694713
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C23H28N4O2/c1-17(2)26(3)15-19-9-5-4-8-18(19)14-24-22(28)12-13-27-16-25-21-11-7-6-10-20(21)23(27)29/h4-11,16-17H,12-15H2,1-3H3,(H,24,28)
InChIKeyYQKLMRRKCDVYHO-UHFFFAOYSA-N
XLogP2.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 111480037
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121022822
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 55694713) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is CC(C)N(C)Cc1ccccc1CNC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is YQKLMRRKCDVYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17(2)26(3)15-19-9-5-4-8-18(19)14-24-22(28)12-13-27-16-25-21-11-7-6-10-20(21)23(27)29/h4-11,16-17H,12-15H2,1-3H3,(H,24,28).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 55694713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).