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

C23H25N3O3 — CID 42408672

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H25N3O3/c27-20(24-16-23(13-6-7-14-23)17-8-2-1-3-9-17)12-15-26-19-11-5-4-10-18(19)21(28)25-22(26)29/h1-5,8-11H,6-7,12-16H2,(H,24,27)(H,25,28,29)
InChIKeyLDMNVYSPEZJWOJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.71
Rot. Bonds6

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

3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide (PubChem CID 42408672) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
PubChem CID42408672
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H25N3O3/c27-20(24-16-23(13-6-7-14-23)17-8-2-1-3-9-17)12-15-26-19-11-5-4-10-18(19)21(28)25-22(26)29/h1-5,8-11H,6-7,12-16H2,(H,24,27)(H,25,28,29)
InChIKeyLDMNVYSPEZJWOJ-UHFFFAOYSA-N
XLogP2.71
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119566494
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride
CID 119566493
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955
3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551373
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 24597399
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide (CID 42408672) is 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The InChIKey is LDMNVYSPEZJWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-20(24-16-23(13-6-7-14-23)17-8-2-1-3-9-17)12-15-26-19-11-5-4-10-18(19)21(28)25-22(26)29/h1-5,8-11H,6-7,12-16H2,(H,24,27)(H,25,28,29).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 42408672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).