4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid

C18H22N2O3 — CID 120534876

IUPAC4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C18H22N2O3/c1-11(2)16-10-14(13-6-4-5-7-15(13)20-16)18(23)19-12(3)8-9-17(21)22/h4-7,10-12H,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyHOXQINZYPPNASW-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.34
Rot. Bonds6

About 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid

4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid (PubChem CID 120534876) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
PubChem CID120534876
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C18H22N2O3/c1-11(2)16-10-14(13-6-4-5-7-15(13)20-16)18(23)19-12(3)8-9-17(21)22/h4-7,10-12H,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyHOXQINZYPPNASW-UHFFFAOYSA-N
XLogP3.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
CID 146077349
N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
CID 26996817
2-(2-propan-2-ylquinolin-4-yl)acetic acid
CID 82081543
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
2-(ethylamino)-N-pentan-2-ylquinoline-4-carboxamide
CID 62185765
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid (CID 120534876) is 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1cc(C(C)C)nc2ccccc12.
What is the InChIKey of 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid?
The InChIKey is HOXQINZYPPNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11(2)16-10-14(13-6-4-5-7-15(13)20-16)18(23)19-12(3)8-9-17(21)22/h4-7,10-12H,8-9H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid?
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).