(4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide

C19H16ClN3O — CID 156906807

IUPAC(4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESO=C(Nc1cncc2ccccc12)[C@@H]1CCNc2ccc(Cl)cc21
InChIInChI=1S/C19H16ClN3O/c20-13-5-6-17-16(9-13)15(7-8-22-17)19(24)23-18-11-21-10-12-3-1-2-4-14(12)18/h1-6,9-11,15,22H,7-8H2,(H,23,24)/t15-/m1/s1
InChIKeyTUZBEGQKTWHIIP-OAHLLOKOSA-N
MW337.81 g/mol
LogP4.43
Rot. Bonds2

About (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide

(4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 156906807) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID156906807
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name(4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESO=C(Nc1cncc2ccccc12)[C@@H]1CCNc2ccc(Cl)cc21
InChIInChI=1S/C19H16ClN3O/c20-13-5-6-17-16(9-13)15(7-8-22-17)19(24)23-18-11-21-10-12-3-1-2-4-14(12)18/h1-6,9-11,15,22H,7-8H2,(H,23,24)/t15-/m1/s1
InChIKeyTUZBEGQKTWHIIP-OAHLLOKOSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 156906807) is (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide is O=C(Nc1cncc2ccccc12)[C@@H]1CCNc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is TUZBEGQKTWHIIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-13-5-6-17-16(9-13)15(7-8-22-17)19(24)23-18-11-21-10-12-3-1-2-4-14(12)18/h1-6,9-11,15,22H,7-8H2,(H,23,24)/t15-/m1/s1.
What are the key properties of (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
(4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 156906807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).