5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid

C23H24N2O4 — CID 113247411

IUPAC5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCc1cc(CC(CCC(=O)O)NC(=O)OCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H24N2O4/c1-16-13-18(20-9-5-6-10-21(20)24-16)14-19(11-12-22(26)27)25-23(28)29-15-17-7-3-2-4-8-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyBGRNTYLIQWKIQQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.25
Rot. Bonds8

About 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid

5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 113247411) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID113247411
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCc1cc(CC(CCC(=O)O)NC(=O)OCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H24N2O4/c1-16-13-18(20-9-5-6-10-21(20)24-16)14-19(11-12-22(26)27)25-23(28)29-15-17-7-3-2-4-8-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyBGRNTYLIQWKIQQ-UHFFFAOYSA-N
XLogP4.25
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 104980215
5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 104930300
5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103570664
5-(3-chloro-4-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103775222
benzyl 2-methylquinoline-4-carboxylate
CID 804130
benzyl N-[(2S)-3-oxo-4-phenanthridin-6-ylbutan-2-yl]carbamate
CID 162397977
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
CID 64894250
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 6992292
5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 18711702

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid (CID 113247411) is 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid is Cc1cc(CC(CCC(=O)O)NC(=O)OCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is BGRNTYLIQWKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-13-18(20-9-5-6-10-21(20)24-16)14-19(11-12-22(26)27)25-23(28)29-15-17-7-3-2-4-8-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 392.46 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 113247411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).