[5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate

C26H26FN3O3 — CID 175215846

IUPAC[5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate
SMILESNC(=O)OCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C26H26FN3O3/c27-18-7-10-23-22(13-18)20(11-12-29-23)15-3-5-17(6-4-15)25(31)24-21(16-1-2-16)9-8-19(30-24)14-33-26(28)32/h7-13,15-17H,1-6,14H2,(H2,28,32)
InChIKeyDAYQNDBFLIQNPX-UHFFFAOYSA-N
MW447.51 g/mol
LogP5.40
Rot. Bonds6

About [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate

[5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate (PubChem CID 175215846) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate
PubChem CID175215846
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name[5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate
SMILESNC(=O)OCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C26H26FN3O3/c27-18-7-10-23-22(13-18)20(11-12-29-23)15-3-5-17(6-4-15)25(31)24-21(16-1-2-16)9-8-19(30-24)14-33-26(28)32/h7-13,15-17H,1-6,14H2,(H2,28,32)
InChIKeyDAYQNDBFLIQNPX-UHFFFAOYSA-N
XLogP5.40
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate with MolForge

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Related Compounds

[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone
CID 162717058
[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate
CID 175211489
[5-cyclopropyl-6-[4-(4-fluoronaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate
CID 175210831
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
(3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone
CID 157246275
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381452

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate?
The IUPAC name of [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate (CID 175215846) is [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate.
What is the SMILES notation for [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate?
The canonical SMILES for [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate is NC(=O)OCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccc(F)cc34)CC2)n1.
What is the InChIKey of [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate?
The InChIKey is DAYQNDBFLIQNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c27-18-7-10-23-22(13-18)20(11-12-29-23)15-3-5-17(6-4-15)25(31)24-21(16-1-2-16)9-8-19(30-24)14-33-26(28)32/h7-13,15-17H,1-6,14H2,(H2,28,32).
What are the key properties of [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate?
[5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate has a molecular weight of 447.51 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate is sourced from PubChem (CID 175215846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).