4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline

C25H21IN2 — CID 53386643

IUPAC4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline
SMILESCc1c2ccccc2n2c1c(-c1ccc(N(C)C)cc1)c(I)c1ccccc12
InChIInChI=1S/C25H21IN2/c1-16-19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)24(26)23(25(16)28)17-12-14-18(15-13-17)27(2)3/h4-15H,1-3H3
InChIKeyCFQGZVIEJZPVOZ-UHFFFAOYSA-N
MW476.36 g/mol
LogP6.89
Rot. Bonds2

About 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline

4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline (PubChem CID 53386643) has the molecular formula C25H21IN2 and a molecular weight of 476.36 g/mol. Its IUPAC name is 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline
PubChem CID53386643
Molecular FormulaC25H21IN2
Molecular Weight476.36 g/mol
Exact Mass476.07
IUPAC Name4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline
SMILESCc1c2ccccc2n2c1c(-c1ccc(N(C)C)cc1)c(I)c1ccccc12
InChIInChI=1S/C25H21IN2/c1-16-19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)24(26)23(25(16)28)17-12-14-18(15-13-17)27(2)3/h4-15H,1-3H3
InChIKeyCFQGZVIEJZPVOZ-UHFFFAOYSA-N
XLogP6.89
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.36
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline
CID 139091933
N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline
CID 102037492
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
4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline
CID 147427849
4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline
CID 102498610
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine
CID 160843476
4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline
CID 122370240
5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole
CID 56931368
4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146509245
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
CID 118179927
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]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline (CID 53386643) is 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline is Cc1c2ccccc2n2c1c(-c1ccc(N(C)C)cc1)c(I)c1ccccc12.
What is the InChIKey of 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline?
The InChIKey is CFQGZVIEJZPVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21IN2/c1-16-19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)24(26)23(25(16)28)17-12-14-18(15-13-17)27(2)3/h4-15H,1-3H3.
What are the key properties of 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline?
4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline has a molecular weight of 476.36 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-7-methylindolo[1,2-a]quinolin-6-yl)-N,N-dimethylaniline is sourced from PubChem (CID 53386643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).