(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide

C17H19N3O2 — CID 129416494

IUPAC(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
SMILESCn1nc2c(cc1=O)C[C@H](C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C17H19N3O2/c1-20-16(21)10-14-9-13(7-8-15(14)19-20)17(22)18-11-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyDLGZTGZPPIJIQV-CYBMUJFWSA-N
MW297.36 g/mol
LogP1.20
Rot. Bonds3

About (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide

(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide (PubChem CID 129416494) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
PubChem CID129416494
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
SMILESCn1nc2c(cc1=O)C[C@H](C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C17H19N3O2/c1-20-16(21)10-14-9-13(7-8-15(14)19-20)17(22)18-11-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyDLGZTGZPPIJIQV-CYBMUJFWSA-N
XLogP1.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The IUPAC name of (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide (CID 129416494) is (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide.
What is the SMILES notation for (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The canonical SMILES for (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide is Cn1nc2c(cc1=O)C[C@H](C(=O)NCc1ccccc1)CC2.
What is the InChIKey of (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The InChIKey is DLGZTGZPPIJIQV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20-16(21)10-14-9-13(7-8-15(14)19-20)17(22)18-11-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide is sourced from PubChem (CID 129416494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).