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

C14H19N5O — CID 136808766

IUPAC6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one
SMILESCN1CCCC(Nc2nc3ccc(N)cc3c(=O)[nH]2)C1
InChIInChI=1S/C14H19N5O/c1-19-6-2-3-10(8-19)16-14-17-12-5-4-9(15)7-11(12)13(20)18-14/h4-5,7,10H,2-3,6,8,15H2,1H3,(H2,16,17,18,20)
InChIKeyQFRVXFIIMCRWMB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.01
Rot. Bonds2

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

6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one (PubChem CID 136808766) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one
PubChem CID136808766
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one
SMILESCN1CCCC(Nc2nc3ccc(N)cc3c(=O)[nH]2)C1
InChIInChI=1S/C14H19N5O/c1-19-6-2-3-10(8-19)16-14-17-12-5-4-9(15)7-11(12)13(20)18-14/h4-5,7,10H,2-3,6,8,15H2,1H3,(H2,16,17,18,20)
InChIKeyQFRVXFIIMCRWMB-UHFFFAOYSA-N
XLogP1.01
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one (CID 136808766) is 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one is CN1CCCC(Nc2nc3ccc(N)cc3c(=O)[nH]2)C1.
What is the InChIKey of 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one?
The InChIKey is QFRVXFIIMCRWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-6-2-3-10(8-19)16-14-17-12-5-4-9(15)7-11(12)13(20)18-14/h4-5,7,10H,2-3,6,8,15H2,1H3,(H2,16,17,18,20).
What are the key properties of 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one?
6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136808766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).