4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine

About 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine

4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine (PubChem CID 142263008) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name	4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine
PubChem CID	142263008
Molecular Formula	C26H28N6
Molecular Weight	424.55 g/mol
Exact Mass	424.24
IUPAC Name	4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine
SMILES	C/C=N/c1c(-c2cc3cc(CN4CCCc5ccccc54)ccc3[nH]2)cc(N)nc1NC
InChI	InChI=1S/C26H28N6/c1-3-29-25-20(15-24(27)31-26(25)28-2)22-14-19-13-17(10-11-21(19)30-22)16-32-12-6-8-18-7-4-5-9-23(18)32/h3-5,7,9-11,13-15,30H,6,8,12,16H2,1-2H3,(H3,27,28,31)/b29-3+
InChIKey	LYCNHUWTAVLUJM-KHEHHPRCSA-N
XLogP	5.53
TPSA	82.33 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine?

The IUPAC name of 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine (CID 142263008) is 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine.

What is the SMILES notation for 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine?

The canonical SMILES for 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine is C/C=N/c1c(-c2cc3cc(CN4CCCc5ccccc54)ccc3[nH]2)cc(N)nc1NC.

What is the InChIKey of 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine?

The InChIKey is LYCNHUWTAVLUJM-KHEHHPRCSA-N. The full InChI is InChI=1S/C26H28N6/c1-3-29-25-20(15-24(27)31-26(25)28-2)22-14-19-13-17(10-11-21(19)30-22)16-32-12-6-8-18-7-4-5-9-23(18)32/h3-5,7,9-11,13-15,30H,6,8,12,16H2,1-2H3,(H3,27,28,31)/b29-3+.

What are the key properties of 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine?

4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine has a molecular weight of 424.55 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 142263008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).