13aH-quinolino[2,1-b]quinazoline

C16H12N2 — CID 90726576

IUPAC13aH-quinolino[2,1-b]quinazoline
SMILESC1=CC2=CC=C3N=c4ccccc4=CN3C2C=C1
InChIInChI=1S/C16H12N2/c1-3-7-14-13(6-1)11-18-15-8-4-2-5-12(15)9-10-16(18)17-14/h1-11,15H
InChIKeyCEMFLNYCLGSXBF-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.64
Rot. Bonds

About 13aH-quinolino[2,1-b]quinazoline

13aH-quinolino[2,1-b]quinazoline (PubChem CID 90726576) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 13aH-quinolino[2,1-b]quinazoline.

Molecular Properties

Compound Name13aH-quinolino[2,1-b]quinazoline
PubChem CID90726576
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name13aH-quinolino[2,1-b]quinazoline
SMILESC1=CC2=CC=C3N=c4ccccc4=CN3C2C=C1
InChIInChI=1S/C16H12N2/c1-3-7-14-13(6-1)11-18-15-8-4-2-5-12(15)9-10-16(18)17-14/h1-11,15H
InChIKeyCEMFLNYCLGSXBF-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrido[1,2-c]quinazoline-6-thione
CID 10822435
Pyrido[2,1-b]quinazoline
CID 16637595
Azepino[2,1-b]quinazoline
CID 54195578
Pyrimido[2,1-b]quinazoline
CID 70598125
Pyrazino[2,1-b]quinazoline
CID 129653308
3-cyclopropyl-2-fluoro-2H-quinazoline
CID 174879028
(2S)-3-cyclopropyl-2-fluoro-2H-quinazoline
CID 174879475
Tetrahydropyrido[2,1-b]quinazoline
CID 56606179
9H-pyrimido[1,2-a]quinoline
CID 91449658
Quinazolino[3,2-b][2]-benzazepine
CID 129798713
2-Diethylamino-3h-acridine
CID 137346134
1,9,17,25-Tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 20756022

Frequently Asked Questions

What is the IUPAC name of 13aH-quinolino[2,1-b]quinazoline?
The IUPAC name of 13aH-quinolino[2,1-b]quinazoline (CID 90726576) is 13aH-quinolino[2,1-b]quinazoline.
What is the SMILES notation for 13aH-quinolino[2,1-b]quinazoline?
The canonical SMILES for 13aH-quinolino[2,1-b]quinazoline is C1=CC2=CC=C3N=c4ccccc4=CN3C2C=C1.
What is the InChIKey of 13aH-quinolino[2,1-b]quinazoline?
The InChIKey is CEMFLNYCLGSXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-3-7-14-13(6-1)11-18-15-8-4-2-5-12(15)9-10-16(18)17-14/h1-11,15H.
What are the key properties of 13aH-quinolino[2,1-b]quinazoline?
13aH-quinolino[2,1-b]quinazoline has a molecular weight of 232.29 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13aH-quinolino[2,1-b]quinazoline is sourced from PubChem (CID 90726576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).