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

C12H12ClFN2 — CID 18992887

IUPAC3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESFc1cc(Cl)cc2c1CN1CCCCC1=N2
InChIInChI=1S/C12H12ClFN2/c13-8-5-10(14)9-7-16-4-2-1-3-12(16)15-11(9)6-8/h5-6H,1-4,7H2
InChIKeyHNFZTDOMSNJLPX-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.51
Rot. Bonds

About 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (PubChem CID 18992887) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
PubChem CID18992887
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESFc1cc(Cl)cc2c1CN1CCCCC1=N2
InChIInChI=1S/C12H12ClFN2/c13-8-5-10(14)9-7-16-4-2-1-3-12(16)15-11(9)6-8/h5-6H,1-4,7H2
InChIKeyHNFZTDOMSNJLPX-UHFFFAOYSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The IUPAC name of 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (CID 18992887) is 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is Fc1cc(Cl)cc2c1CN1CCCCC1=N2.
What is the InChIKey of 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The InChIKey is HNFZTDOMSNJLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c13-8-5-10(14)9-7-16-4-2-1-3-12(16)15-11(9)6-8/h5-6H,1-4,7H2.
What are the key properties of 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline has a molecular weight of 238.69 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 18992887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).