[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate

C26H27N3O3 — CID 175211489

IUPAC[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate
SMILESNC(=O)OCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccccc34)CC2)n1
InChIInChI=1S/C26H27N3O3/c27-26(31)32-15-19-11-12-21(17-5-6-17)24(29-19)25(30)18-9-7-16(8-10-18)20-13-14-28-23-4-2-1-3-22(20)23/h1-4,11-14,16-18H,5-10,15H2,(H2,27,31)
InChIKeyVWTIRNYDBOKIBR-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.26
Rot. Bonds6

About [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate

[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate (PubChem CID 175211489) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate
PubChem CID175211489
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate
SMILESNC(=O)OCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccccc34)CC2)n1
InChIInChI=1S/C26H27N3O3/c27-26(31)32-15-19-11-12-21(17-5-6-17)24(29-19)25(30)18-9-7-16(8-10-18)20-13-14-28-23-4-2-1-3-22(20)23/h1-4,11-14,16-18H,5-10,15H2,(H2,27,31)
InChIKeyVWTIRNYDBOKIBR-UHFFFAOYSA-N
XLogP5.26
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate?
The IUPAC name of [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate (CID 175211489) is [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate?
The canonical SMILES for [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate is NC(=O)OCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccccc34)CC2)n1.
What is the InChIKey of [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate?
The InChIKey is VWTIRNYDBOKIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c27-26(31)32-15-19-11-12-21(17-5-6-17)24(29-19)25(30)18-9-7-16(8-10-18)20-13-14-28-23-4-2-1-3-22(20)23/h1-4,11-14,16-18H,5-10,15H2,(H2,27,31).
What are the key properties of [5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate?
[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate has a molecular weight of 429.52 g/mol, XLogP of 5.26, 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-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate is sourced from PubChem (CID 175211489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).