6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one

C14H18N4O — CID 136808516

IUPAC6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one
SMILESCC1CCCN(c2nc3ccc(N)cc3c(=O)[nH]2)C1
InChIInChI=1S/C14H18N4O/c1-9-3-2-6-18(8-9)14-16-12-5-4-10(15)7-11(12)13(19)17-14/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,17,19)
InChIKeyPGYTYPVXPULVIK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds1

About 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one

6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one (PubChem CID 136808516) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one
PubChem CID136808516
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one
SMILESCC1CCCN(c2nc3ccc(N)cc3c(=O)[nH]2)C1
InChIInChI=1S/C14H18N4O/c1-9-3-2-6-18(8-9)14-16-12-5-4-10(15)7-11(12)13(19)17-14/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,17,19)
InChIKeyPGYTYPVXPULVIK-UHFFFAOYSA-N
XLogP1.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
CID 136808513
6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one
CID 136809137
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one
CID 136809226
6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808766
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
6-amino-2-[(1-methylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808808
6-amino-2-[(2-methylcyclopentyl)methylamino]-3H-quinazolin-4-one
CID 136867407
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one
CID 136809007
6-amino-2-[(2-methylcyclohexyl)amino]-3H-quinazolin-4-one
CID 136808573

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one (CID 136808516) is 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one is CC1CCCN(c2nc3ccc(N)cc3c(=O)[nH]2)C1.
What is the InChIKey of 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one?
The InChIKey is PGYTYPVXPULVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-3-2-6-18(8-9)14-16-12-5-4-10(15)7-11(12)13(19)17-14/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,17,19).
What are the key properties of 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one?
6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136808516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).