[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid

C20H21N3O3 — CID 22640731

IUPAC[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid
SMILESCOc1cc(NCC(CNC(=O)O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O3/c1-26-18-11-19(23-17-10-6-5-9-16(17)18)21-12-15(13-22-20(24)25)14-7-3-2-4-8-14/h2-11,15,22H,12-13H2,1H3,(H,21,23)(H,24,25)
InChIKeyIVWDJFQAZCTOHD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.71
Rot. Bonds7

About [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid

[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid (PubChem CID 22640731) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid.

Molecular Properties

Compound Name[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid
PubChem CID22640731
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid
SMILESCOc1cc(NCC(CNC(=O)O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O3/c1-26-18-11-19(23-17-10-6-5-9-16(17)18)21-12-15(13-22-20(24)25)14-7-3-2-4-8-14/h2-11,15,22H,12-13H2,1H3,(H,21,23)(H,24,25)
InChIKeyIVWDJFQAZCTOHD-UHFFFAOYSA-N
XLogP3.71
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid?
The IUPAC name of [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid (CID 22640731) is [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid.
What is the SMILES notation for [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid?
The canonical SMILES for [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid is COc1cc(NCC(CNC(=O)O)c2ccccc2)nc2ccccc12.
What is the InChIKey of [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid?
The InChIKey is IVWDJFQAZCTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-18-11-19(23-17-10-6-5-9-16(17)18)21-12-15(13-22-20(24)25)14-7-3-2-4-8-14/h2-11,15,22H,12-13H2,1H3,(H,21,23)(H,24,25).
What are the key properties of [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid?
[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid has a molecular weight of 351.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid is sourced from PubChem (CID 22640731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).