N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline

C25H22N2 — CID 102037492

IUPACN,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline
SMILESCc1c2ccccc2n2c(-c3ccc(N(C)C)cc3)cc3ccccc3c12
InChIInChI=1S/C25H22N2/c1-17-21-9-6-7-11-23(21)27-24(18-12-14-20(15-13-18)26(2)3)16-19-8-4-5-10-22(19)25(17)27/h4-16H,1-3H3
InChIKeyRTYJPOFHNPCKSJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.29
Rot. Bonds2

About N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline

N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline (PubChem CID 102037492) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline
PubChem CID102037492
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC NameN,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline
SMILESCc1c2ccccc2n2c(-c3ccc(N(C)C)cc3)cc3ccccc3c12
InChIInChI=1S/C25H22N2/c1-17-21-9-6-7-11-23(21)27-24(18-12-14-20(15-13-18)26(2)3)16-19-8-4-5-10-22(19)25(17)27/h4-16H,1-3H3
InChIKeyRTYJPOFHNPCKSJ-UHFFFAOYSA-N
XLogP6.29
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline
CID 71484408
4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline
CID 53386643
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine
CID 146508718
4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline
CID 147427849
4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline
CID 122370240
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
3,5-diphenyl-6-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7,9,11,14,16,18,20-decaene
CID 139436539
12-methylindolo[1,2-c]quinazolin-6-amine
CID 162409606
N,N-dimethyl-4-[10-(4-methylphenyl)pyren-4-yl]aniline
CID 159045938
5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
CID 122382936
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 123734450
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]fluoren-2-amine
CID 90297235

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline (CID 102037492) is N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline is Cc1c2ccccc2n2c(-c3ccc(N(C)C)cc3)cc3ccccc3c12.
What is the InChIKey of N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline?
The InChIKey is RTYJPOFHNPCKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-17-21-9-6-7-11-23(21)27-24(18-12-14-20(15-13-18)26(2)3)16-19-8-4-5-10-22(19)25(17)27/h4-16H,1-3H3.
What are the key properties of N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline?
N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline has a molecular weight of 350.47 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline is sourced from PubChem (CID 102037492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).