N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C22H23N3O3 — CID 137258780

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccc(CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-17-10-6-15(7-11-17)14-25(16-8-9-16)21(26)13-12-20-23-19-5-3-2-4-18(19)22(27)24-20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,24,27)
InChIKeyHLWZXVWRWVLCLB-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.06
Rot. Bonds7

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 137258780) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID137258780
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccc(CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-17-10-6-15(7-11-17)14-25(16-8-9-16)21(26)13-12-20-23-19-5-3-2-4-18(19)22(27)24-20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,24,27)
InChIKeyHLWZXVWRWVLCLB-UHFFFAOYSA-N
XLogP3.06
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135429069
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 51302176
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 60607693
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831778
N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide
CID 137282635
methyl 4-[[methyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]methyl]benzoate
CID 135915704
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711264
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 137258780) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is COc1ccc(CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is HLWZXVWRWVLCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-17-10-6-15(7-11-17)14-25(16-8-9-16)21(26)13-12-20-23-19-5-3-2-4-18(19)22(27)24-20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,24,27).
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 377.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 137258780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).