N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

C17H22N4O3 — CID 119566494

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESNCC1(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CCCC1
InChIInChI=1S/C17H22N4O3/c18-11-17(8-3-4-9-17)20-14(22)7-10-21-13-6-2-1-5-12(13)15(23)19-16(21)24/h1-2,5-6H,3-4,7-11,18H2,(H,20,22)(H,19,23,24)
InChIKeyUYMZGBKREFVAHA-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.47
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 119566494) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID119566494
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESNCC1(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CCCC1
InChIInChI=1S/C17H22N4O3/c18-11-17(8-3-4-9-17)20-14(22)7-10-21-13-6-2-1-5-12(13)15(23)19-16(21)24/h1-2,5-6H,3-4,7-11,18H2,(H,20,22)(H,19,23,24)
InChIKeyUYMZGBKREFVAHA-UHFFFAOYSA-N
XLogP0.47
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 119566494) is N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is NCC1(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is UYMZGBKREFVAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c18-11-17(8-3-4-9-17)20-14(22)7-10-21-13-6-2-1-5-12(13)15(23)19-16(21)24/h1-2,5-6H,3-4,7-11,18H2,(H,20,22)(H,19,23,24).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 119566494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).