(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone

C18H11ClN2O — CID 66765937

IUPAC(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2[nH]c3ncc(Cl)cc3c2c1
InChIInChI=1S/C18H11ClN2O/c19-13-9-15-14-8-12(17(22)11-4-2-1-3-5-11)6-7-16(14)21-18(15)20-10-13/h1-10H,(H,20,21)
InChIKeyIGJAVXWFLIKKGV-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.60
Rot. Bonds2

About (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone

(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone (PubChem CID 66765937) has the molecular formula C18H11ClN2O and a molecular weight of 306.75 g/mol. Its IUPAC name is (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone
PubChem CID66765937
Molecular FormulaC18H11ClN2O
Molecular Weight306.75 g/mol
Exact Mass306.06
IUPAC Name(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2[nH]c3ncc(Cl)cc3c2c1
InChIInChI=1S/C18H11ClN2O/c19-13-9-15-14-8-12(17(22)11-4-2-1-3-5-11)6-7-16(14)21-18(15)20-10-13/h1-10H,(H,20,21)
InChIKeyIGJAVXWFLIKKGV-UHFFFAOYSA-N
XLogP4.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-9H-pyrido[2,3-b]indole-6-carboxylic acid
CID 46185400
1-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-2-(2-phenoxyethylsulfanyl)ethanone
CID 46185657
3-chloro-9H-pyrido[2,3-b]indole
CID 158959947
3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole
CID 68627440
(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-[2,6-difluoro-3-(methylsulfonylmethyl)phenyl]methanone
CID 162084478
1-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-2-(3-hydroxypropylsulfanyl)ethanone
CID 46185917
N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide
CID 146277606
N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]propane-1-sulfonamide
CID 146281454
1-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-2-[1-(diethylamino)ethylsulfanyl]ethanone
CID 66766248
1-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-4-(4-methylpiperazin-1-yl)butane-1,4-dione
CID 46185920
9H-pyrido[2,3-b]indole-3-carboxamide
CID 69263092
2-chloro-5H-benzo[c][1,8]naphthyridin-6-one
CID 58167982

Frequently Asked Questions

What is the IUPAC name of (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone?
The IUPAC name of (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone (CID 66765937) is (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone.
What is the SMILES notation for (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone?
The canonical SMILES for (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone is O=C(c1ccccc1)c1ccc2[nH]c3ncc(Cl)cc3c2c1.
What is the InChIKey of (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone?
The InChIKey is IGJAVXWFLIKKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O/c19-13-9-15-14-8-12(17(22)11-4-2-1-3-5-11)6-7-16(14)21-18(15)20-10-13/h1-10H,(H,20,21).
What are the key properties of (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone?
(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone has a molecular weight of 306.75 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone is sourced from PubChem (CID 66765937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).