9H-pyrido[2,1-b]quinazoline;hydrochloride

C12H11ClN2 — CID 172790321

IUPAC9H-pyrido[2,1-b]quinazoline;hydrochloride
SMILESC1=CCN2C=c3ccccc3=NC2=C1.Cl
InChIInChI=1S/C12H10N2.ClH/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11;/h1-7,9H,8H2;1H
InChIKeyPMCJCUQENSBEQF-UHFFFAOYSA-N
MW218.69 g/mol
LogP1.19
Rot. Bonds

About 9H-pyrido[2,1-b]quinazoline;hydrochloride

9H-pyrido[2,1-b]quinazoline;hydrochloride (PubChem CID 172790321) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 9H-pyrido[2,1-b]quinazoline;hydrochloride.

Molecular Properties

Compound Name9H-pyrido[2,1-b]quinazoline;hydrochloride
PubChem CID172790321
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name9H-pyrido[2,1-b]quinazoline;hydrochloride
SMILESC1=CCN2C=c3ccccc3=NC2=C1.Cl
InChIInChI=1S/C12H10N2.ClH/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11;/h1-7,9H,8H2;1H
InChIKeyPMCJCUQENSBEQF-UHFFFAOYSA-N
XLogP1.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9H-pyrido[2,1-b]quinazoline;hydrochloride 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

Pyrido[1,2-c]quinazoline-6-thione
CID 10822435
Pyrido[2,1-b]quinazoline
CID 16637595
Azepino[2,1-b]quinazoline
CID 54195578
3-Methylquinazoline
CID 68345740
Pyrimido[2,1-b]quinazoline
CID 70598125
3-Allylquinazolinone
CID 70631189
Pyrazino[2,1-b]quinazoline
CID 129653308
3-prop-2-enyl-7-(trifluoromethyl)-2H-quinazoline
CID 140200278
2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
Pyrido[1,2-c]quinazolin-6-one
CID 85650358
Tetrahydropyrido[2,1-b]quinazoline
CID 56606179

Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[2,1-b]quinazoline;hydrochloride?
The IUPAC name of 9H-pyrido[2,1-b]quinazoline;hydrochloride (CID 172790321) is 9H-pyrido[2,1-b]quinazoline;hydrochloride.
What is the SMILES notation for 9H-pyrido[2,1-b]quinazoline;hydrochloride?
The canonical SMILES for 9H-pyrido[2,1-b]quinazoline;hydrochloride is C1=CCN2C=c3ccccc3=NC2=C1.Cl.
What is the InChIKey of 9H-pyrido[2,1-b]quinazoline;hydrochloride?
The InChIKey is PMCJCUQENSBEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.ClH/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11;/h1-7,9H,8H2;1H.
What are the key properties of 9H-pyrido[2,1-b]quinazoline;hydrochloride?
9H-pyrido[2,1-b]quinazoline;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[2,1-b]quinazoline;hydrochloride is sourced from PubChem (CID 172790321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).