(8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide

C19H18ClN3O — CID 124721725

IUPAC(8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCCN(C(=O)[C@@H]1CCCc2cccnc21)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H18ClN3O/c1-2-23(15-9-8-14(12-21)17(20)11-15)19(24)16-7-3-5-13-6-4-10-22-18(13)16/h4,6,8-11,16H,2-3,5,7H2,1H3/t16-/m1/s1
InChIKeyAHPVWZSRAVVKHT-MRXNPFEDSA-N
MW339.83 g/mol
LogP4.08
Rot. Bonds3

About (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide

(8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 124721725) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID124721725
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCCN(C(=O)[C@@H]1CCCc2cccnc21)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H18ClN3O/c1-2-23(15-9-8-14(12-21)17(20)11-15)19(24)16-7-3-5-13-6-4-10-22-18(13)16/h4,6,8-11,16H,2-3,5,7H2,1H3/t16-/m1/s1
InChIKeyAHPVWZSRAVVKHT-MRXNPFEDSA-N
XLogP4.08
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 124721725) is (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide is CCN(C(=O)[C@@H]1CCCc2cccnc21)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is AHPVWZSRAVVKHT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-2-23(15-9-8-14(12-21)17(20)11-15)19(24)16-7-3-5-13-6-4-10-22-18(13)16/h4,6,8-11,16H,2-3,5,7H2,1H3/t16-/m1/s1.
What are the key properties of (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 124721725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).