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

C13H11ClN2 — CID 150321979

IUPAC3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline
SMILESCC1C=C(Cl)C=C2N=C3C=CC=CN3C=C21
InChIInChI=1S/C13H11ClN2/c1-9-6-10(14)7-12-11(9)8-16-5-3-2-4-13(16)15-12/h2-9H,1H3
InChIKeyGNVJEJKFAQRWAJ-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.32
Rot. Bonds

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

3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline (PubChem CID 150321979) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline
PubChem CID150321979
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline
SMILESCC1C=C(Cl)C=C2N=C3C=CC=CN3C=C21
InChIInChI=1S/C13H11ClN2/c1-9-6-10(14)7-12-11(9)8-16-5-3-2-4-13(16)15-12/h2-9H,1H3
InChIKeyGNVJEJKFAQRWAJ-UHFFFAOYSA-N
XLogP3.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline?
The IUPAC name of 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline (CID 150321979) is 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline is CC1C=C(Cl)C=C2N=C3C=CC=CN3C=C21.
What is the InChIKey of 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline?
The InChIKey is GNVJEJKFAQRWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-9-6-10(14)7-12-11(9)8-16-5-3-2-4-13(16)15-12/h2-9H,1H3.
What are the key properties of 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline?
3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline has a molecular weight of 230.70 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-1H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 150321979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).