N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

C23H26N4O2 — CID 137287838

IUPACN-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H26N4O2/c1-26(16-17-8-2-5-11-20(17)27-14-6-7-15-27)22(28)13-12-21-24-19-10-4-3-9-18(19)23(29)25-21/h2-5,8-11H,6-7,12-16H2,1H3,(H,24,25,29)
InChIKeyXSOJETHFLHSYKB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.11
Rot. Bonds6

About N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 137287838) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID137287838
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H26N4O2/c1-26(16-17-8-2-5-11-20(17)27-14-6-7-15-27)22(28)13-12-21-24-19-10-4-3-9-18(19)23(29)25-21/h2-5,8-11H,6-7,12-16H2,1H3,(H,24,25,29)
InChIKeyXSOJETHFLHSYKB-UHFFFAOYSA-N
XLogP3.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 43045408
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135623598
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711264
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 24551664
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137137330
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 135960488
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135554900
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 43072701
methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 166181806

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 137287838) is N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCCC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is XSOJETHFLHSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26(16-17-8-2-5-11-20(17)27-14-6-7-15-27)22(28)13-12-21-24-19-10-4-3-9-18(19)23(29)25-21/h2-5,8-11H,6-7,12-16H2,1H3,(H,24,25,29).
What are the key properties of N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 390.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 137287838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).