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

C12H13FN2 — CID 18992546

IUPAC1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESFc1cccc2c1CN1CCCCC1=N2
InChIInChI=1S/C12H13FN2/c13-10-4-3-5-11-9(10)8-15-7-2-1-6-12(15)14-11/h3-5H,1-2,6-8H2
InChIKeyTZSOJPXXRVWVAX-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.86
Rot. Bonds

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

1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (PubChem CID 18992546) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
PubChem CID18992546
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESFc1cccc2c1CN1CCCCC1=N2
InChIInChI=1S/C12H13FN2/c13-10-4-3-5-11-9(10)8-15-7-2-1-6-12(15)14-11/h3-5H,1-2,6-8H2
InChIKeyTZSOJPXXRVWVAX-UHFFFAOYSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The IUPAC name of 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (CID 18992546) is 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is Fc1cccc2c1CN1CCCCC1=N2.
What is the InChIKey of 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The InChIKey is TZSOJPXXRVWVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/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-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline has a molecular weight of 204.25 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 18992546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).