N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide

C19H18N2O2 — CID 78823331

IUPACN-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(O)c2)c2ccccc2n1
InChIInChI=1S/C19H18N2O2/c1-12(2)18-11-16(15-8-3-4-9-17(15)21-18)19(23)20-13-6-5-7-14(22)10-13/h3-12,22H,1-2H3,(H,20,23)
InChIKeyVZOOCQNHNAQNSK-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.32
Rot. Bonds3

About N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide

N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 78823331) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
PubChem CID78823331
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(O)c2)c2ccccc2n1
InChIInChI=1S/C19H18N2O2/c1-12(2)18-11-16(15-8-3-4-9-17(15)21-18)19(23)20-13-6-5-7-14(22)10-13/h3-12,22H,1-2H3,(H,20,23)
InChIKeyVZOOCQNHNAQNSK-UHFFFAOYSA-N
XLogP4.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide
CID 99838210
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 18198200

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide (CID 78823331) is N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(O)c2)c2ccccc2n1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is VZOOCQNHNAQNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(2)18-11-16(15-8-3-4-9-17(15)21-18)19(23)20-13-6-5-7-14(22)10-13/h3-12,22H,1-2H3,(H,20,23).
What are the key properties of N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide?
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 78823331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).