N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide

C21H29N5O3 — CID 126898976

IUPACN-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
SMILESCOCCn1cnc2cc(N3CCN(C(=O)NC4CCCC4)CC3)ccc2c1=O
InChIInChI=1S/C21H29N5O3/c1-29-13-12-26-15-22-19-14-17(6-7-18(19)20(26)27)24-8-10-25(11-9-24)21(28)23-16-4-2-3-5-16/h6-7,14-16H,2-5,8-13H2,1H3,(H,23,28)
InChIKeyIKXAJYHBUQOQIZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.82
Rot. Bonds5

About N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide

N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide (PubChem CID 126898976) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
PubChem CID126898976
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
SMILESCOCCn1cnc2cc(N3CCN(C(=O)NC4CCCC4)CC3)ccc2c1=O
InChIInChI=1S/C21H29N5O3/c1-29-13-12-26-15-22-19-14-17(6-7-18(19)20(26)27)24-8-10-25(11-9-24)21(28)23-16-4-2-3-5-16/h6-7,14-16H,2-5,8-13H2,1H3,(H,23,28)
InChIKeyIKXAJYHBUQOQIZ-UHFFFAOYSA-N
XLogP1.82
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126899009
3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898950
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126898994
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126899083
3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899134
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide (CID 126898976) is N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide is COCCn1cnc2cc(N3CCN(C(=O)NC4CCCC4)CC3)ccc2c1=O.
What is the InChIKey of N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide?
The InChIKey is IKXAJYHBUQOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-29-13-12-26-15-22-19-14-17(6-7-18(19)20(26)27)24-8-10-25(11-9-24)21(28)23-16-4-2-3-5-16/h6-7,14-16H,2-5,8-13H2,1H3,(H,23,28).
What are the key properties of N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide?
N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide is sourced from PubChem (CID 126898976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).