6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile

C23H20N6 — CID 177022545

IUPAC6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
SMILESCC(Nc1c(C#N)cnc2ccc(-c3cnc(N)c(N)c3)cc12)c1ccccc1
InChIInChI=1S/C23H20N6/c1-14(15-5-3-2-4-6-15)29-22-18(11-24)13-27-21-8-7-16(9-19(21)22)17-10-20(25)23(26)28-12-17/h2-10,12-14H,25H2,1H3,(H2,26,28)(H,27,29)
InChIKeyNFVANPRKBZHMTQ-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.51
Rot. Bonds4

About 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile

6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile (PubChem CID 177022545) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
PubChem CID177022545
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
SMILESCC(Nc1c(C#N)cnc2ccc(-c3cnc(N)c(N)c3)cc12)c1ccccc1
InChIInChI=1S/C23H20N6/c1-14(15-5-3-2-4-6-15)29-22-18(11-24)13-27-21-8-7-16(9-19(21)22)17-10-20(25)23(26)28-12-17/h2-10,12-14H,25H2,1H3,(H2,26,28)(H,27,29)
InChIKeyNFVANPRKBZHMTQ-UHFFFAOYSA-N
XLogP4.51
TPSA113.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
CID 164556546
6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile
CID 133310729
6-amino-7-(oxolan-3-yloxy)-4-[[(1R)-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 89496124
N-[2-chloro-5-[3-cyano-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]-3-pyridinyl]methanesulfinamide
CID 177022607
N-[2-chloro-5-[3-cyano-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164809102
6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 164556375
6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
CID 175505841
6-nitro-7-(oxolan-3-yloxy)-4-[[(1S)-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 89496230
6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
CID 170565419
3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
CID 43668869
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile (CID 177022545) is 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile is CC(Nc1c(C#N)cnc2ccc(-c3cnc(N)c(N)c3)cc12)c1ccccc1.
What is the InChIKey of 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The InChIKey is NFVANPRKBZHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-14(15-5-3-2-4-6-15)29-22-18(11-24)13-27-21-8-7-16(9-19(21)22)17-10-20(25)23(26)28-12-17/h2-10,12-14H,25H2,1H3,(H2,26,28)(H,27,29).
What are the key properties of 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile has a molecular weight of 380.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 177022545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).