N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide

C34H33FN4O — CID 145245692

About N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145245692) has the molecular formula C34H33FN4O and a molecular weight of 532.66 g/mol. Its IUPAC name is N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 145245692
• Molecular Formula: C34H33FN4O
• Molecular Weight: 532.66 g/mol
• Exact Mass: 532.26
• IUPAC Name: N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CC1=C(c2cc3c(C4C=CC=C(F)C4)cccc3[nH]2)c2cc(-c3cncc(NC(=O)C(C)C)c3)cnc2[C@H](C)C1
• InChI: InChI=1S/C34H33FN4O/c1-19(2)34(40)38-26-13-23(16-36-18-26)24-14-29-32(20(3)11-21(4)33(29)37-17-24)31-15-28-27(9-6-10-30(28)39-31)22-7-5-8-25(35)12-22/h5-10,13-19,21-22,39H,11-12H2,1-4H3,(H,38,40)/t21-,22?/m1/s1
• InChIKey: WGGZEWJAYGXLTF-ZMFCMNQTSA-N
• XLogP: 8.45
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.66
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide (CID 145245692) is N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide is CC1=C(c2cc3c(C4C=CC=C(F)C4)cccc3[nH]2)c2cc(-c3cncc(NC(=O)C(C)C)c3)cnc2[C@H](C)C1.

What is the InChIKey of N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide?

The InChIKey is WGGZEWJAYGXLTF-ZMFCMNQTSA-N. The full InChI is InChI=1S/C34H33FN4O/c1-19(2)34(40)38-26-13-23(16-36-18-26)24-14-29-32(20(3)11-21(4)33(29)37-17-24)31-15-28-27(9-6-10-30(28)39-31)22-7-5-8-25(35)12-22/h5-10,13-19,21-22,39H,11-12H2,1-4H3,(H,38,40)/t21-,22?/m1/s1.

What are the key properties of N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide?

N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 532.66 g/mol, XLogP of 8.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(8R)-5-[4-(5-fluorocyclohexa-2,4-dien-1-yl)-1H-indol-2-yl]-6,8-dimethyl-7,8-dihydroquinolin-3-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145245692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).