3H-pyrido[2,1-b]quinazoline

C12H10N2 — CID 57137694

IUPAC3H-pyrido[2,1-b]quinazoline
SMILESC1=CC2=NC3=CCC=CC3=CN2C=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1,3-9H,2H2
InChIKeyVTRMXTGCYVSEGR-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.51
Rot. Bonds

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

3H-pyrido[2,1-b]quinazoline (PubChem CID 57137694) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name3H-pyrido[2,1-b]quinazoline
PubChem CID57137694
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name3H-pyrido[2,1-b]quinazoline
SMILESC1=CC2=NC3=CCC=CC3=CN2C=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1,3-9H,2H2
InChIKeyVTRMXTGCYVSEGR-UHFFFAOYSA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dimethyl-4H-pyrido[1,2-a]pyrimidine-4-thione
CID 16456850
Pyrimido[2,1-b]quinazoline
CID 70598125
1-(trifluoromethyl)-1H-pyrido[2,1-b]quinazoline
CID 149959570
copper N-phenylpyridin-1-id-2-imine
CID 134857612
7-Ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746973
2H-pyrimido[2,1-b]quinazoline
CID 23336415
N,1,4-trimethylpyridin-2-imine
CID 23387651
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
1H-pyrido[2,1-b]quinazoline
CID 57105532
9H-pyridazino[6,1-b]quinazoline
CID 57171680
4,8-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666523
1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666531

Frequently Asked Questions

What is the IUPAC name of 3H-pyrido[2,1-b]quinazoline?
The IUPAC name of 3H-pyrido[2,1-b]quinazoline (CID 57137694) is 3H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 3H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 3H-pyrido[2,1-b]quinazoline is C1=CC2=NC3=CCC=CC3=CN2C=C1.
What is the InChIKey of 3H-pyrido[2,1-b]quinazoline?
The InChIKey is VTRMXTGCYVSEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1,3-9H,2H2.
What are the key properties of 3H-pyrido[2,1-b]quinazoline?
3H-pyrido[2,1-b]quinazoline has a molecular weight of 182.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 57137694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).