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

C12H10N2 — CID 57105532

IUPAC1H-pyrido[2,1-b]quinazoline
SMILESC1=CCC2=CN3C=CC=CC3=NC2=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1-4,6-9H,5H2
InChIKeyNFSBKHUHALQOAO-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.51
Rot. Bonds

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

1H-pyrido[2,1-b]quinazoline (PubChem CID 57105532) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name1H-pyrido[2,1-b]quinazoline
PubChem CID57105532
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1H-pyrido[2,1-b]quinazoline
SMILESC1=CCC2=CN3C=CC=CC3=NC2=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1-4,6-9H,5H2
InChIKeyNFSBKHUHALQOAO-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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Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[2,1-b]quinazoline?
The IUPAC name of 1H-pyrido[2,1-b]quinazoline (CID 57105532) is 1H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 1H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 1H-pyrido[2,1-b]quinazoline is C1=CCC2=CN3C=CC=CC3=NC2=C1.
What is the InChIKey of 1H-pyrido[2,1-b]quinazoline?
The InChIKey is NFSBKHUHALQOAO-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/h1-4,6-9H,5H2.
What are the key properties of 1H-pyrido[2,1-b]quinazoline?
1H-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 1H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 57105532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).