5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine

C28H26N4O — CID 67095967

IUPAC5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine
SMILESCOc1cccc2c1C(Nc1ccc3c(NCc4cccc5[nH]ccc45)cccc3n1)CC2
InChIInChI=1S/C28H26N4O/c1-33-26-10-3-5-18-11-13-25(28(18)26)32-27-14-12-21-23(8-4-9-24(21)31-27)30-17-19-6-2-7-22-20(19)15-16-29-22/h2-10,12,14-16,25,29-30H,11,13,17H2,1H3,(H,31,32)
InChIKeyXWPWIQGDIBVZCQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.44
Rot. Bonds6

About 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine

5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine (PubChem CID 67095967) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine.

Molecular Properties

Compound Name5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine
PubChem CID67095967
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine
SMILESCOc1cccc2c1C(Nc1ccc3c(NCc4cccc5[nH]ccc45)cccc3n1)CC2
InChIInChI=1S/C28H26N4O/c1-33-26-10-3-5-18-11-13-25(28(18)26)32-27-14-12-21-23(8-4-9-24(21)31-27)30-17-19-6-2-7-22-20(19)15-16-29-22/h2-10,12,14-16,25,29-30H,11,13,17H2,1H3,(H,31,32)
InChIKeyXWPWIQGDIBVZCQ-UHFFFAOYSA-N
XLogP6.44
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trifluoro-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-5-yl]benzenesulfonamide
CID 25019062
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
CID 67096011
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74953808
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine
CID 67096058
2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide
CID 68914894
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
N-(1H-indol-4-ylmethyl)-2-phenylsulfanylaniline
CID 17221081
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181895
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
3,4,5-trifluoro-N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-5-yl]benzenesulfonamide
CID 25019064

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine?
The IUPAC name of 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine (CID 67095967) is 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine.
What is the SMILES notation for 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine?
The canonical SMILES for 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine is COc1cccc2c1C(Nc1ccc3c(NCc4cccc5[nH]ccc45)cccc3n1)CC2.
What is the InChIKey of 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine?
The InChIKey is XWPWIQGDIBVZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-33-26-10-3-5-18-11-13-25(28(18)26)32-27-14-12-21-23(8-4-9-24(21)31-27)30-17-19-6-2-7-22-20(19)15-16-29-22/h2-10,12,14-16,25,29-30H,11,13,17H2,1H3,(H,31,32).
What are the key properties of 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine?
5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine has a molecular weight of 434.54 g/mol, XLogP of 6.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-indol-4-ylmethyl)-2-N-(7-methoxy-2,3-dihydro-1H-inden-1-yl)quinoline-2,5-diamine is sourced from PubChem (CID 67095967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).