3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide

C26H23N3O — CID 44570859

IUPAC3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
SMILESNc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C26H23N3O/c27-23-22(26(30)29-24(19-15-16-19)17-9-3-1-4-10-17)20-13-7-8-14-21(20)28-25(23)18-11-5-2-6-12-18/h1-14,19,24H,15-16,27H2,(H,29,30)/t24-/m1/s1
InChIKeyIJZKXXAVXWWWOP-XMMPIXPASA-N
MW393.49 g/mol
LogP5.37
Rot. Bonds5

About 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide

3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide (PubChem CID 44570859) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
PubChem CID44570859
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
SMILESNc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C26H23N3O/c27-23-22(26(30)29-24(19-15-16-19)17-9-3-1-4-10-17)20-13-7-8-14-21(20)28-25(23)18-11-5-2-6-12-18/h1-14,19,24H,15-16,27H2,(H,29,30)/t24-/m1/s1
InChIKeyIJZKXXAVXWWWOP-XMMPIXPASA-N
XLogP5.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide (CID 44570859) is 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide is Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1.
What is the InChIKey of 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is IJZKXXAVXWWWOP-XMMPIXPASA-N. The full InChI is InChI=1S/C26H23N3O/c27-23-22(26(30)29-24(19-15-16-19)17-9-3-1-4-10-17)20-13-7-8-14-21(20)28-25(23)18-11-5-2-6-12-18/h1-14,19,24H,15-16,27H2,(H,29,30)/t24-/m1/s1.
What are the key properties of 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide?
3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 44570859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).