2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C19H12ClN5O — CID 126712424

IUPAC2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cc2nc3c(cnc4ccc(Cl)cc43)[nH]2)nc2ccccn12
InChIInChI=1S/C19H12ClN5O/c20-11-4-5-14-13(7-11)19-15(10-21-14)23-16(24-19)8-12-9-18(26)25-6-2-1-3-17(25)22-12/h1-7,9-10H,8H2,(H,23,24)
InChIKeyHDUUWLCXBKGEMS-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.36
Rot. Bonds2

About 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126712424) has the molecular formula C19H12ClN5O and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID126712424
Molecular FormulaC19H12ClN5O
Molecular Weight361.79 g/mol
Exact Mass361.07
IUPAC Name2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cc2nc3c(cnc4ccc(Cl)cc43)[nH]2)nc2ccccn12
InChIInChI=1S/C19H12ClN5O/c20-11-4-5-14-13(7-11)19-15(10-21-14)23-16(24-19)8-12-9-18(26)25-6-2-1-3-17(25)22-12/h1-7,9-10H,8H2,(H,23,24)
InChIKeyHDUUWLCXBKGEMS-UHFFFAOYSA-N
XLogP3.36
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 126712424) is 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(Cc2nc3c(cnc4ccc(Cl)cc43)[nH]2)nc2ccccn12.
What is the InChIKey of 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HDUUWLCXBKGEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O/c20-11-4-5-14-13(7-11)19-15(10-21-14)23-16(24-19)8-12-9-18(26)25-6-2-1-3-17(25)22-12/h1-7,9-10H,8H2,(H,23,24).
What are the key properties of 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 361.79 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126712424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).