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

C13H11ClN2 — CID 18992876

IUPAC1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline
SMILESCC1=CC=C2N=C3C=CC=CN3C=C2C1Cl
InChIInChI=1S/C13H11ClN2/c1-9-5-6-11-10(13(9)14)8-16-7-3-2-4-12(16)15-11/h2-8,13H,1H3
InChIKeyNEHLDKVHAYUEOX-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.12
Rot. Bonds

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

1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline (PubChem CID 18992876) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline
PubChem CID18992876
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline
SMILESCC1=CC=C2N=C3C=CC=CN3C=C2C1Cl
InChIInChI=1S/C13H11ClN2/c1-9-5-6-11-10(13(9)14)8-16-7-3-2-4-12(16)15-11/h2-8,13H,1H3
InChIKeyNEHLDKVHAYUEOX-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline?
The IUPAC name of 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline (CID 18992876) is 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline is CC1=CC=C2N=C3C=CC=CN3C=C2C1Cl.
What is the InChIKey of 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline?
The InChIKey is NEHLDKVHAYUEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-9-5-6-11-10(13(9)14)8-16-7-3-2-4-12(16)15-11/h2-8,13H,1H3.
What are the key properties of 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline?
1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline has a molecular weight of 230.70 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-1H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 18992876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).