(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide

C20H19N3O — CID 95980856

IUPAC(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESNC(=O)[C@H]1c2ccccc2CCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C20H19N3O/c21-20(24)19-17-7-3-1-5-14(17)11-12-23(19)13-16-10-9-15-6-2-4-8-18(15)22-16/h1-10,19H,11-13H2,(H2,21,24)/t19-/m1/s1
InChIKeyJITNHEKRHUDEGE-LJQANCHMSA-N
MW317.39 g/mol
LogP2.82
Rot. Bonds3

About (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide

(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 95980856) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID95980856
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESNC(=O)[C@H]1c2ccccc2CCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C20H19N3O/c21-20(24)19-17-7-3-1-5-14(17)11-12-23(19)13-16-10-9-15-6-2-4-8-18(15)22-16/h1-10,19H,11-13H2,(H2,21,24)/t19-/m1/s1
InChIKeyJITNHEKRHUDEGE-LJQANCHMSA-N
XLogP2.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 95980856) is (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide is NC(=O)[C@H]1c2ccccc2CCN1Cc1ccc2ccccc2n1.
What is the InChIKey of (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is JITNHEKRHUDEGE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O/c21-20(24)19-17-7-3-1-5-14(17)11-12-23(19)13-16-10-9-15-6-2-4-8-18(15)22-16/h1-10,19H,11-13H2,(H2,21,24)/t19-/m1/s1.
What are the key properties of (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 95980856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).