2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline

C12H14N2 — CID 176507225

IUPAC2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline
SMILESC1=CN2C=C3CCCCC3=NC2=CC1
InChIInChI=1S/C12H14N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h4,7-9H,1-3,5-6H2
InChIKeyUGUAZQWNMFPLDC-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.96
Rot. Bonds

About 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline

2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline (PubChem CID 176507225) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline
PubChem CID176507225
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline
SMILESC1=CN2C=C3CCCCC3=NC2=CC1
InChIInChI=1S/C12H14N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h4,7-9H,1-3,5-6H2
InChIKeyUGUAZQWNMFPLDC-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydropyrido[2,1-b]quinazoline
CID 56606179
2,3,4,9-tetrahydro-1H-pyrido[2,1-b]quinazoline;hydrochloride
CID 71436056

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline?
The IUPAC name of 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline (CID 176507225) is 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline is C1=CN2C=C3CCCCC3=NC2=CC1.
What is the InChIKey of 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline?
The InChIKey is UGUAZQWNMFPLDC-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/h4,7-9H,1-3,5-6H2.
What are the key properties of 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline?
2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline has a molecular weight of 186.26 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 176507225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).