5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide

C29H29N5O — CID 171809047

IUPAC5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide
SMILESCNC(=O)c1c[nH]c2c(C(C)C)cc(N3CCCc4cc(-c5ccc(C)nc5)c(C#N)cc43)cc12
InChIInChI=1S/C29H29N5O/c1-17(2)23-12-22(13-25-26(29(35)31-4)16-33-28(23)25)34-9-5-6-19-10-24(21(14-30)11-27(19)34)20-8-7-18(3)32-15-20/h7-8,10-13,15-17,33H,5-6,9H2,1-4H3,(H,31,35)
InChIKeyPPQFCDABBNEVJX-UHFFFAOYSA-N
MW463.59 g/mol
LogP5.98
Rot. Bonds4

About 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide

5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide (PubChem CID 171809047) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide
PubChem CID171809047
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC Name5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide
SMILESCNC(=O)c1c[nH]c2c(C(C)C)cc(N3CCCc4cc(-c5ccc(C)nc5)c(C#N)cc43)cc12
InChIInChI=1S/C29H29N5O/c1-17(2)23-12-22(13-25-26(29(35)31-4)16-33-28(23)25)34-9-5-6-19-10-24(21(14-30)11-27(19)34)20-8-7-18(3)32-15-20/h7-8,10-13,15-17,33H,5-6,9H2,1-4H3,(H,31,35)
InChIKeyPPQFCDABBNEVJX-UHFFFAOYSA-N
XLogP5.98
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide?
The IUPAC name of 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide (CID 171809047) is 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide is CNC(=O)c1c[nH]c2c(C(C)C)cc(N3CCCc4cc(-c5ccc(C)nc5)c(C#N)cc43)cc12.
What is the InChIKey of 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide?
The InChIKey is PPQFCDABBNEVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c1-17(2)23-12-22(13-25-26(29(35)31-4)16-33-28(23)25)34-9-5-6-19-10-24(21(14-30)11-27(19)34)20-8-7-18(3)32-15-20/h7-8,10-13,15-17,33H,5-6,9H2,1-4H3,(H,31,35).
What are the key properties of 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide?
5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-cyano-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-7-propan-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 171809047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).