N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C27H31N3O2 — CID 167831707

IUPACN-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1ccccc1CNc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCC(C(C)C)C2
InChIInChI=1S/C27H31N3O2/c1-17(2)19-12-13-23-21(14-19)15-22(26(31)29-23)27(32)30-25-11-7-6-10-24(25)28-16-20-9-5-4-8-18(20)3/h4-11,15,17,19,28H,12-14,16H2,1-3H3,(H,29,31)(H,30,32)
InChIKeySLYBXIBEXUEKJZ-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.31
Rot. Bonds6

About N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 167831707) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID167831707
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1ccccc1CNc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCC(C(C)C)C2
InChIInChI=1S/C27H31N3O2/c1-17(2)19-12-13-23-21(14-19)15-22(26(31)29-23)27(32)30-25-11-7-6-10-24(25)28-16-20-9-5-4-8-18(20)3/h4-11,15,17,19,28H,12-14,16H2,1-3H3,(H,29,31)(H,30,32)
InChIKeySLYBXIBEXUEKJZ-UHFFFAOYSA-N
XLogP5.31
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 167831707) is N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is Cc1ccccc1CNc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCC(C(C)C)C2.
What is the InChIKey of N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is SLYBXIBEXUEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-17(2)19-12-13-23-21(14-19)15-22(26(31)29-23)27(32)30-25-11-7-6-10-24(25)28-16-20-9-5-4-8-18(20)3/h4-11,15,17,19,28H,12-14,16H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 5.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167831707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).