[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid

C21H24N4O2 — CID 66620004

IUPAC[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid
SMILESC[C@H](CC(Cc1ccccc1)NC(=O)O)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C21H24N4O2/c1-14(11-16(25-21(26)27)12-15-7-3-2-4-8-15)24-20-17-9-5-6-10-19(17)23-13-18(20)22/h2-10,13-14,16,25H,11-12,22H2,1H3,(H,23,24)(H,26,27)/t14-,16?/m1/s1
InChIKeyRXEHQKLDQKUVGQ-IURRXHLWSA-N
MW364.45 g/mol
LogP3.89
Rot. Bonds7

About [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid

[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid (PubChem CID 66620004) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid
PubChem CID66620004
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid
SMILESC[C@H](CC(Cc1ccccc1)NC(=O)O)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C21H24N4O2/c1-14(11-16(25-21(26)27)12-15-7-3-2-4-8-15)24-20-17-9-5-6-10-19(17)23-13-18(20)22/h2-10,13-14,16,25H,11-12,22H2,1H3,(H,23,24)(H,26,27)/t14-,16?/m1/s1
InChIKeyRXEHQKLDQKUVGQ-IURRXHLWSA-N
XLogP3.89
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid with MolForge

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Related Compounds

4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
CID 162715623
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
N-[(2R)-1-ethoxy-3-phenylpropan-2-yl]-3-nitroquinolin-4-amine
CID 155388594
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
CID 106387738
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
CID 43668869
[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid
CID 69179366

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid?
The IUPAC name of [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid (CID 66620004) is [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid.
What is the SMILES notation for [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid?
The canonical SMILES for [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid is C[C@H](CC(Cc1ccccc1)NC(=O)O)Nc1c(N)cnc2ccccc12.
What is the InChIKey of [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid?
The InChIKey is RXEHQKLDQKUVGQ-IURRXHLWSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(11-16(25-21(26)27)12-15-7-3-2-4-8-15)24-20-17-9-5-6-10-19(17)23-13-18(20)22/h2-10,13-14,16,25H,11-12,22H2,1H3,(H,23,24)(H,26,27)/t14-,16?/m1/s1.
What are the key properties of [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid?
[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid has a molecular weight of 364.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid is sourced from PubChem (CID 66620004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).