N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide

C14H14Cl2N2O — CID 170426672

IUPACN-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
SMILESCC(=O)NC1CCCn2c1cc1ccc(Cl)c(Cl)c12
InChIInChI=1S/C14H14Cl2N2O/c1-8(19)17-11-3-2-6-18-12(11)7-9-4-5-10(15)13(16)14(9)18/h4-5,7,11H,2-3,6H2,1H3,(H,17,19)
InChIKeySOWUKPNMQCRNOI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.92
Rot. Bonds1

About N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide

N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide (PubChem CID 170426672) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
PubChem CID170426672
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC NameN-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
SMILESCC(=O)NC1CCCn2c1cc1ccc(Cl)c(Cl)c12
InChIInChI=1S/C14H14Cl2N2O/c1-8(19)17-11-3-2-6-18-12(11)7-9-4-5-10(15)13(16)14(9)18/h4-5,7,11H,2-3,6H2,1H3,(H,17,19)
InChIKeySOWUKPNMQCRNOI-UHFFFAOYSA-N
XLogP3.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 21868720
N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide
CID 126738293
(s)-1-(6,7-Dichloro-1-methyl-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one
CID 170666990
Bauerine C
CID 189883
6-Chloro-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 44287208
1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
CID 29133832
8-Chloro-10-methyl-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 14595518
1-({1-[(4-Chlorophenyl)methyl]-1H-indol-2-YL}methyl)-N-cyclopropylpiperidine-4-carboxamide
CID 44522265
(E)-3-(3,4-dichlorophenyl)-N-[5-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]prop-2-enamide
CID 44533382
(E)-3-(3,4-dichlorophenyl)-N-[4-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]prop-2-enamide
CID 44533611
(E)-3-(3,4-dichlorophenyl)-N-[4-[[4-(1H-indol-2-ylmethyl)piperidin-1-yl]methyl]cyclohexyl]prop-2-enamide
CID 44534419
(E)-3-(3,4-dichlorophenyl)-N-[4-[[4-(1H-indol-2-yl)piperidin-1-yl]methyl]cyclohexyl]prop-2-enamide
CID 44534424

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The IUPAC name of N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide (CID 170426672) is N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide.
What is the SMILES notation for N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The canonical SMILES for N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide is CC(=O)NC1CCCn2c1cc1ccc(Cl)c(Cl)c12.
What is the InChIKey of N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The InChIKey is SOWUKPNMQCRNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8(19)17-11-3-2-6-18-12(11)7-9-4-5-10(15)13(16)14(9)18/h4-5,7,11H,2-3,6H2,1H3,(H,17,19).
What are the key properties of N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide has a molecular weight of 297.19 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide is sourced from PubChem (CID 170426672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).