2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride

C12H15ClN2 — CID 71436056

IUPAC2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride
SMILESC1=CCN2C=C3CCCCC3=NC2=C1.Cl
InChIInChI=1S/C12H14N2.ClH/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11;/h3-4,7,9H,1-2,5-6,8H2;1H
InChIKeyXNMVCJQREJWLTO-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.03
Rot. Bonds

About 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride

2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride (PubChem CID 71436056) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride.

Molecular Properties

Compound Name2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride
PubChem CID71436056
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride
SMILESC1=CCN2C=C3CCCCC3=NC2=C1.Cl
InChIInChI=1S/C12H14N2.ClH/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11;/h3-4,7,9H,1-2,5-6,8H2;1H
InChIKeyXNMVCJQREJWLTO-UHFFFAOYSA-N
XLogP3.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrido[2,1-b]quinazoline
CID 16637595
Tetrahydropyrido[2,1-b]quinazoline
CID 56606179
Tetrahydro-7h-pyrido[2,1-b]quinazoline
CID 176507225
2,8-Diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene
CID 154258634
6H-pyrido[1,2-c]quinazoline
CID 164000296
9H-pyrido[2,1-b]quinazoline;hydrochloride
CID 172790321

Frequently Asked Questions

What is the IUPAC name of 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride?
The IUPAC name of 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride (CID 71436056) is 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride.
What is the SMILES notation for 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride?
The canonical SMILES for 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride is C1=CCN2C=C3CCCCC3=NC2=C1.Cl.
What is the InChIKey of 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride?
The InChIKey is XNMVCJQREJWLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11;/h3-4,7,9H,1-2,5-6,8H2;1H.
What are the key properties of 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride?
2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride is sourced from PubChem (CID 71436056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).