N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide

C20H19N3O3 — CID 122145334

IUPACN-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc3ncccc23)cc1C(N)=O
InChIInChI=1S/C20H19N3O3/c1-12(2)26-18-9-8-13(11-16(18)19(21)24)23-20(25)15-5-3-7-17-14(15)6-4-10-22-17/h3-12H,1-2H3,(H2,21,24)(H,23,25)
InChIKeyLKRGUCYQNBMIQM-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.37
Rot. Bonds5

About N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide

N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide (PubChem CID 122145334) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
PubChem CID122145334
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc3ncccc23)cc1C(N)=O
InChIInChI=1S/C20H19N3O3/c1-12(2)26-18-9-8-13(11-16(18)19(21)24)23-20(25)15-5-3-7-17-14(15)6-4-10-22-17/h3-12H,1-2H3,(H2,21,24)(H,23,25)
InChIKeyLKRGUCYQNBMIQM-UHFFFAOYSA-N
XLogP3.37
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 24597682
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79497381
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide (CID 122145334) is N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide is CC(C)Oc1ccc(NC(=O)c2cccc3ncccc23)cc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide?
The InChIKey is LKRGUCYQNBMIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12(2)26-18-9-8-13(11-16(18)19(21)24)23-20(25)15-5-3-7-17-14(15)6-4-10-22-17/h3-12H,1-2H3,(H2,21,24)(H,23,25).
What are the key properties of N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide?
N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide is sourced from PubChem (CID 122145334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).