1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

C12H13ClN2 — CID 18992823

IUPAC1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESClc1cccc2c1CN1CCCCC1=N2
InChIInChI=1S/C12H13ClN2/c13-10-4-3-5-11-9(10)8-15-7-2-1-6-12(15)14-11/h3-5H,1-2,6-8H2
InChIKeyQOCOXSNHRPNTFR-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.37
Rot. Bonds

About 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (PubChem CID 18992823) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
PubChem CID18992823
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESClc1cccc2c1CN1CCCCC1=N2
InChIInChI=1S/C12H13ClN2/c13-10-4-3-5-11-9(10)8-15-7-2-1-6-12(15)14-11/h3-5H,1-2,6-8H2
InChIKeyQOCOXSNHRPNTFR-UHFFFAOYSA-N
XLogP3.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992546
1-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992664
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
2,8-dihydro-1H-azeto[2,1-b]quinazoline
CID 15852512
6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
CID 18992286
1,3-dichloro-7,9,10,12-tetrahydro-6H-azepino[2,1-b]quinazolin-8-one
CID 18992556
4-chloro-3-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992973
3-(5-chloro-2-methyl-4H-quinazolin-3-yl)-1H-pyrrole-2,5-diol
CID 91065559
6-chloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 171379209
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbohydrazide
CID 140735901
1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992574
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol
CID 130034310

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The IUPAC name of 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (CID 18992823) is 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is Clc1cccc2c1CN1CCCCC1=N2.
What is the InChIKey of 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The InChIKey is QOCOXSNHRPNTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-10-4-3-5-11-9(10)8-15-7-2-1-6-12(15)14-11/h3-5H,1-2,6-8H2.
What are the key properties of 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline has a molecular weight of 220.70 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 18992823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).