6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one

C14H19N5O — CID 136731490

IUPAC6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
SMILESCN1CCCC1CNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C14H19N5O/c1-19-4-2-3-9(19)7-16-13-6-12-10(5-11(13)15)14(20)18-8-17-12/h5-6,8-9,16H,2-4,7,15H2,1H3,(H,17,18,20)
InChIKeyHXWAFIMQDSIEHC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.01
Rot. Bonds3

About 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one

6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one (PubChem CID 136731490) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
PubChem CID136731490
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
SMILESCN1CCCC1CNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C14H19N5O/c1-19-4-2-3-9(19)7-16-13-6-12-10(5-11(13)15)14(20)18-8-17-12/h5-6,8-9,16H,2-4,7,15H2,1H3,(H,17,18,20)
InChIKeyHXWAFIMQDSIEHC-UHFFFAOYSA-N
XLogP1.01
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
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'}

Analyze 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
CID 136695051
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987739
5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975085
6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one
CID 136791661
5-chloro-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975083
6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one
CID 136746805
6-amino-7-(thian-4-ylamino)-3H-quinazolin-4-one
CID 136952216
6-amino-7-(2-ethylsulfinylethylamino)-3H-quinazolin-4-one
CID 136969146
6-amino-7-[(2-methylsulfanylcyclohexyl)amino]-3H-quinazolin-4-one
CID 136811881
3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
CID 106025151
6-amino-7-[(4-hydroxy-2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136984779
5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide
CID 136880867

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one (CID 136731490) is 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one is CN1CCCC1CNc1cc2nc[nH]c(=O)c2cc1N.
What is the InChIKey of 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one?
The InChIKey is HXWAFIMQDSIEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-4-2-3-9(19)7-16-13-6-12-10(5-11(13)15)14(20)18-8-17-12/h5-6,8-9,16H,2-4,7,15H2,1H3,(H,17,18,20).
What are the key properties of 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one?
6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136731490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).