3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one

C14H17N3O2 — CID 10587365

IUPAC3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one
SMILESNn1c(CC2(O)CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c15-17-12(9-14(19)7-3-4-8-14)16-11-6-2-1-5-10(11)13(17)18/h1-2,5-6,19H,3-4,7-9,15H2
InChIKeyUBSAGQAOOGXDJN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.96
Rot. Bonds2

About 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one

3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one (PubChem CID 10587365) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one
PubChem CID10587365
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one
SMILESNn1c(CC2(O)CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c15-17-12(9-14(19)7-3-4-8-14)16-11-6-2-1-5-10(11)13(17)18/h1-2,5-6,19H,3-4,7-9,15H2
InChIKeyUBSAGQAOOGXDJN-UHFFFAOYSA-N
XLogP0.96
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one
CID 10541902
3-amino-2-but-3-enylquinazolin-4-one
CID 12733618
3-amino-2-heptylquinazolin-4-one
CID 154013236
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide
CID 10599286
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140
2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769
1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol
CID 126846264
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one (CID 10587365) is 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one is Nn1c(CC2(O)CCCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one?
The InChIKey is UBSAGQAOOGXDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-17-12(9-14(19)7-3-4-8-14)16-11-6-2-1-5-10(11)13(17)18/h1-2,5-6,19H,3-4,7-9,15H2.
What are the key properties of 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one?
3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one is sourced from PubChem (CID 10587365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).