N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide

C22H23N3O4 — CID 34441928

IUPACN-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)cc1
InChIInChI=1S/C22H23N3O4/c1-29-17-10-6-15(7-11-17)14-25(16-8-9-16)20(26)12-13-24-19-5-3-2-4-18(19)21(27)23-22(24)28/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,27,28)
InChIKeyWYQNDCRUOONBTJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.28
Rot. Bonds7

About N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide

N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 34441928) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID34441928
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)cc1
InChIInChI=1S/C22H23N3O4/c1-29-17-10-6-15(7-11-17)14-25(16-8-9-16)20(26)12-13-24-19-5-3-2-4-18(19)21(27)23-22(24)28/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,27,28)
InChIKeyWYQNDCRUOONBTJ-UHFFFAOYSA-N
XLogP2.28
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 86925489
N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
CID 33345317
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258780
3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824520
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546994
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613645
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552041
N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851926
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 51302176
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 24547729

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 34441928) is N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is WYQNDCRUOONBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-17-10-6-15(7-11-17)14-25(16-8-9-16)20(26)12-13-24-19-5-3-2-4-18(19)21(27)23-22(24)28/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,27,28).
What are the key properties of N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 393.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 34441928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).