(9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone

C22H23ClN2O — CID 71129825

IUPAC(9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone
SMILESCc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC(C)(N)C1
InChIInChI=1S/C22H23ClN2O/c1-14-5-10-20-17(12-14)18-13-22(2,24)11-3-4-19(18)25(20)21(26)15-6-8-16(23)9-7-15/h5-10,12H,3-4,11,13,24H2,1-2H3
InChIKeyKUMZUZCPERBMHF-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.89
Rot. Bonds1

About (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone

(9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone (PubChem CID 71129825) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone
PubChem CID71129825
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name(9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone
SMILESCc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC(C)(N)C1
InChIInChI=1S/C22H23ClN2O/c1-14-5-10-20-17(12-14)18-13-22(2,24)11-3-4-19(18)25(20)21(26)15-6-8-16(23)9-7-15/h5-10,12H,3-4,11,13,24H2,1-2H3
InChIKeyKUMZUZCPERBMHF-UHFFFAOYSA-N
XLogP4.89
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone (CID 71129825) is (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone is Cc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC(C)(N)C1.
What is the InChIKey of (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone?
The InChIKey is KUMZUZCPERBMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-14-5-10-20-17(12-14)18-13-22(2,24)11-3-4-19(18)25(20)21(26)15-6-8-16(23)9-7-15/h5-10,12H,3-4,11,13,24H2,1-2H3.
What are the key properties of (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone?
(9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone has a molecular weight of 366.89 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-2,9-dimethyl-6,7,8,10-tetrahydrocyclohepta[b]indol-5-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 71129825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).