(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone

C19H16Cl2N2O — CID 113089087

IUPAC(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
SMILESCn1c2c(c3ccccc31)CN(C(=O)c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C19H16Cl2N2O/c1-22-17-5-3-2-4-13(17)14-11-23(9-8-18(14)22)19(24)12-6-7-15(20)16(21)10-12/h2-7,10H,8-9,11H2,1H3
InChIKeyFDWWOXOEUJCMBZ-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.68
Rot. Bonds1

About (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone

(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone (PubChem CID 113089087) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
PubChem CID113089087
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
SMILESCn1c2c(c3ccccc31)CN(C(=O)c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C19H16Cl2N2O/c1-22-17-5-3-2-4-13(17)14-11-23(9-8-18(14)22)19(24)12-6-7-15(20)16(21)10-12/h2-7,10H,8-9,11H2,1H3
InChIKeyFDWWOXOEUJCMBZ-UHFFFAOYSA-N
XLogP4.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089107
2-chloro-1-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 42695028
(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone
CID 6539922
(3,4-dichlorophenyl)-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
CID 84580795
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one
CID 23543816
N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 156776145
5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695045
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42788619

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone (CID 113089087) is (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone is Cn1c2c(c3ccccc31)CN(C(=O)c1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is FDWWOXOEUJCMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-22-17-5-3-2-4-13(17)14-11-23(9-8-18(14)22)19(24)12-6-7-15(20)16(21)10-12/h2-7,10H,8-9,11H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 359.26 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 113089087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).