3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide

C21H23N3O — CID 68830457

IUPAC3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide
SMILESCC(C)Cc1nc2ccc(C(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C21H23N3O/c1-13(2)10-19-17(12-22)20(14-6-4-3-5-7-14)16-11-15(21(23)25)8-9-18(16)24-19/h3-9,11,13H,10,12,22H2,1-2H3,(H2,23,25)
InChIKeyJVKJMSUGFIETDM-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.66
Rot. Bonds5

About 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide

3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide (PubChem CID 68830457) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide
PubChem CID68830457
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide
SMILESCC(C)Cc1nc2ccc(C(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C21H23N3O/c1-13(2)10-19-17(12-22)20(14-6-4-3-5-7-14)16-11-15(21(23)25)8-9-18(16)24-19/h3-9,11,13H,10,12,22H2,1-2H3,(H2,23,25)
InChIKeyJVKJMSUGFIETDM-UHFFFAOYSA-N
XLogP3.66
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide?
The IUPAC name of 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide (CID 68830457) is 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide?
The canonical SMILES for 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide is CC(C)Cc1nc2ccc(C(N)=O)cc2c(-c2ccccc2)c1CN.
What is the InChIKey of 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide?
The InChIKey is JVKJMSUGFIETDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13(2)10-19-17(12-22)20(14-6-4-3-5-7-14)16-11-15(21(23)25)8-9-18(16)24-19/h3-9,11,13H,10,12,22H2,1-2H3,(H2,23,25).
What are the key properties of 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide?
3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinoline-6-carboxamide is sourced from PubChem (CID 68830457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).