N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline

C27H30N4 — CID 136688624

IUPACN-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline
SMILESCCCc1nc2c(c3[nH]c4ccccc4c13)/C(=N\N(C)c1ccccc1)CC(C)(C)C2
InChIInChI=1S/C27H30N4/c1-5-11-21-24-19-14-9-10-15-20(19)29-26(24)25-22(28-21)16-27(2,3)17-23(25)30-31(4)18-12-7-6-8-13-18/h6-10,12-15,29H,5,11,16-17H2,1-4H3/b30-23-
InChIKeyOWIAHDXBSDHUDR-WMMMYUQOSA-N
MW410.57 g/mol
LogP6.48
Rot. Bonds4

About N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline

N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline (PubChem CID 136688624) has the molecular formula C27H30N4 and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline
PubChem CID136688624
Molecular FormulaC27H30N4
Molecular Weight410.57 g/mol
Exact Mass410.25
IUPAC NameN-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline
SMILESCCCc1nc2c(c3[nH]c4ccccc4c13)/C(=N\N(C)c1ccccc1)CC(C)(C)C2
InChIInChI=1S/C27H30N4/c1-5-11-21-24-19-14-9-10-15-20(19)29-26(24)25-22(28-21)16-27(2,3)17-23(25)30-31(4)18-12-7-6-8-13-18/h6-10,12-15,29H,5,11,16-17H2,1-4H3/b30-23-
InChIKeyOWIAHDXBSDHUDR-WMMMYUQOSA-N
XLogP6.48
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.57
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline with MolForge

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Related Compounds

N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine
CID 135947897
1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
3,3-dimethyl-6-propan-2-yl-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-one
CID 5340236
3,3-dimethyl-6-[(2-nitrophenyl)methyl]-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-one
CID 44634186
6-ethyl-11-fluoro-3,3-dimethyl-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-one
CID 50906599
(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
CID 5399220
(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine
CID 5405805
N-[(E)-[3,3-dimethyl-6-(trifluoromethyl)-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-ylidene]amino]pyridine-3-carboxamide
CID 135844157
3,3-dimethyl-6-(thiophen-2-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol
CID 44634446
1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline
CID 44818182
4-phenyl-3-propyl-9H-carbazole
CID 21444099
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline?
The IUPAC name of N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline (CID 136688624) is N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline.
What is the SMILES notation for N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline?
The canonical SMILES for N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline is CCCc1nc2c(c3[nH]c4ccccc4c13)/C(=N\N(C)c1ccccc1)CC(C)(C)C2.
What is the InChIKey of N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline?
The InChIKey is OWIAHDXBSDHUDR-WMMMYUQOSA-N. The full InChI is InChI=1S/C27H30N4/c1-5-11-21-24-19-14-9-10-15-20(19)29-26(24)25-22(28-21)16-27(2,3)17-23(25)30-31(4)18-12-7-6-8-13-18/h6-10,12-15,29H,5,11,16-17H2,1-4H3/b30-23-.
What are the key properties of N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline?
N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline has a molecular weight of 410.57 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,3-dimethyl-6-propyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylaniline is sourced from PubChem (CID 136688624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).