N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide

C17H21N3O3 — CID 10829136

IUPACN-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC(=O)Nn1c(C(C)C2(O)CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-11(17(23)9-5-6-10-17)15-18-14-8-4-3-7-13(14)16(22)20(15)19-12(2)21/h3-4,7-8,11,23H,5-6,9-10H2,1-2H3,(H,19,21)
InChIKeyRRPBDTUJNZGMFF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.90
Rot. Bonds3

About N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide

N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 10829136) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID10829136
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC(=O)Nn1c(C(C)C2(O)CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-11(17(23)9-5-6-10-17)15-18-14-8-4-3-7-13(14)16(22)20(15)19-12(2)21/h3-4,7-8,11,23H,5-6,9-10H2,1-2H3,(H,19,21)
InChIKeyRRPBDTUJNZGMFF-UHFFFAOYSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
CID 10912745
2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide
CID 10599286
(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
CID 16723151
N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
CID 15046298
N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 73317107
2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 16723037
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
CID 164840749
CID 164840749
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide (CID 10829136) is N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide is CC(=O)Nn1c(C(C)C2(O)CCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is RRPBDTUJNZGMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(17(23)9-5-6-10-17)15-18-14-8-4-3-7-13(14)16(22)20(15)19-12(2)21/h3-4,7-8,11,23H,5-6,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide?
N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 10829136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).