1,4-dichloropyrido[2,1-b]quinazolin-11-imine

C12H7Cl2N3 — CID 18992433

IUPAC1,4-dichloropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(Cl)ccc(Cl)c2nc2ccccn12
InChIInChI=1S/C12H7Cl2N3/c13-7-4-5-8(14)11-10(7)12(15)17-6-2-1-3-9(17)16-11/h1-6,15H/b15-12-
InChIKeyPAPSIDATUZYNSY-QINSGFPZSA-N
MW264.12 g/mol
LogP3.27
Rot. Bonds

About 1,4-dichloropyrido[2,1-b]quinazolin-11-imine

1,4-dichloropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992433) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 1,4-dichloropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name1,4-dichloropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992433
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name1,4-dichloropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(Cl)ccc(Cl)c2nc2ccccn12
InChIInChI=1S/C12H7Cl2N3/c13-7-4-5-8(14)11-10(7)12(15)17-6-2-1-3-9(17)16-11/h1-6,15H/b15-12-
InChIKeyPAPSIDATUZYNSY-QINSGFPZSA-N
XLogP3.27
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine
CID 18992522
3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine
CID 18992263
3-(3,4-dichlorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine
CID 11741686
1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine
CID 151732447
1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine
CID 18992977
3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine
CID 133055370
4-chloropurino[9,8-a]pyridine
CID 10703405
5-(2,4-dinitrophenyl)-2-imino-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3,6,8,10,12-pentaen-4-amine
CID 71653846
2-imino-5-(6-methyl-1,3-benzothiazol-2-yl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3,6,8,10,12-pentaen-4-amine
CID 71653848
11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 132570518
2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
CID 59589453
3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine
CID 10427896

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 1,4-dichloropyrido[2,1-b]quinazolin-11-imine (CID 18992433) is 1,4-dichloropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 1,4-dichloropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 1,4-dichloropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2c(Cl)ccc(Cl)c2nc2ccccn12.
What is the InChIKey of 1,4-dichloropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is PAPSIDATUZYNSY-QINSGFPZSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-7-4-5-8(14)11-10(7)12(15)17-6-2-1-3-9(17)16-11/h1-6,15H/b15-12-.
What are the key properties of 1,4-dichloropyrido[2,1-b]quinazolin-11-imine?
1,4-dichloropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 264.12 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).