3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine

C12H12ClN3 — CID 18992372

IUPAC3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2ccc(Cl)cc2nc2n1CCCC2
InChIInChI=1S/C12H12ClN3/c13-8-4-5-9-10(7-8)15-11-3-1-2-6-16(11)12(9)14/h4-5,7,14H,1-3,6H2/b14-12-
InChIKeyJZWIXWFTCJVHQM-OWBHPGMISA-N
MW233.70 g/mol
LogP2.51
Rot. Bonds

About 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine

3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992372) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992372
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2ccc(Cl)cc2nc2n1CCCC2
InChIInChI=1S/C12H12ClN3/c13-8-4-5-9-10(7-8)15-11-3-1-2-6-16(11)12(9)14/h4-5,7,14H,1-3,6H2/b14-12-
InChIKeyJZWIXWFTCJVHQM-OWBHPGMISA-N
XLogP2.51
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 18992571
2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 18992694
4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
CID 18992578
1,2-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 18992349
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
3-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-12-thione
CID 18992239
N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 46273577
N-[(3-chlorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9096007
N'-(3-chlorobenzoyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 24979555
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride
CID 129451720
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 135680266

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine (CID 18992372) is 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2ccc(Cl)cc2nc2n1CCCC2.
What is the InChIKey of 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is JZWIXWFTCJVHQM-OWBHPGMISA-N. The full InChI is InChI=1S/C12H12ClN3/c13-8-4-5-9-10(7-8)15-11-3-1-2-6-16(11)12(9)14/h4-5,7,14H,1-3,6H2/b14-12-.
What are the key properties of 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine?
3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 233.70 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).