1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one

C22H18ClN3O — CID 18002648

IUPAC1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
SMILESO=c1c(CCCc2ccncc2)cc2cccnc2n1-c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O/c23-19-7-2-8-20(15-19)26-21-17(6-3-11-25-21)14-18(22(26)27)5-1-4-16-9-12-24-13-10-16/h2-3,6-15H,1,4-5H2
InChIKeyPTUZAZMVPMSRKA-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.61
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one

1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one (PubChem CID 18002648) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
PubChem CID18002648
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
SMILESO=c1c(CCCc2ccncc2)cc2cccnc2n1-c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O/c23-19-7-2-8-20(15-19)26-21-17(6-3-11-25-21)14-18(22(26)27)5-1-4-16-9-12-24-13-10-16/h2-3,6-15H,1,4-5H2
InChIKeyPTUZAZMVPMSRKA-UHFFFAOYSA-N
XLogP4.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470741
5-Chloro-2-ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470742
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470746
13-[2-(3-Azidophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470749
13-[2-(4-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470756
13-[2-(3-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470757
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one (CID 18002648) is 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one is O=c1c(CCCc2ccncc2)cc2cccnc2n1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one?
The InChIKey is PTUZAZMVPMSRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-19-7-2-8-20(15-19)26-21-17(6-3-11-25-21)14-18(22(26)27)5-1-4-16-9-12-24-13-10-16/h2-3,6-15H,1,4-5H2.
What are the key properties of 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one?
1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one has a molecular weight of 375.86 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 18002648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).