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

C12H14N2 — CID 6420076

IUPAC7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESc1ccc2c(c1)CN1CCCCC1=N2
InChIInChI=1S/C12H14N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1-2,5-6H,3-4,7-9H2
InChIKeyPZRHMLTUOQZGFU-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.72
Rot. Bonds

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

7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (PubChem CID 6420076) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
PubChem CID6420076
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESc1ccc2c(c1)CN1CCCCC1=N2
InChIInChI=1S/C12H14N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1-2,5-6H,3-4,7-9H2
InChIKeyPZRHMLTUOQZGFU-UHFFFAOYSA-N
XLogP2.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The IUPAC name of 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (CID 6420076) is 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is c1ccc2c(c1)CN1CCCCC1=N2.
What is the InChIKey of 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The InChIKey is PZRHMLTUOQZGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline has a molecular weight of 186.26 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 6420076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).