N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide

C19H17ClN2O3 — CID 174438145

IUPACN-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide
SMILESO=C(NCCCOc1ccc(O)c(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C19H17ClN2O3/c20-15-12-14(7-9-18(15)23)25-11-3-10-21-19(24)17-8-6-13-4-1-2-5-16(13)22-17/h1-2,4-9,12,23H,3,10-11H2,(H,21,24)
InChIKeyRHXIEBJCBYPMQN-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.79
Rot. Bonds6

About N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide

N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide (PubChem CID 174438145) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide
PubChem CID174438145
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide
SMILESO=C(NCCCOc1ccc(O)c(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C19H17ClN2O3/c20-15-12-14(7-9-18(15)23)25-11-3-10-21-19(24)17-8-6-13-4-1-2-5-16(13)22-17/h1-2,4-9,12,23H,3,10-11H2,(H,21,24)
InChIKeyRHXIEBJCBYPMQN-UHFFFAOYSA-N
XLogP3.79
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
CID 174392041
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
CID 151448271
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
CID 174406685
N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
CID 114297702
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 174391022
7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
CID 110490274
N-[5-[5-(quinoline-2-carbonylamino)pentyldisulfanyl]pentyl]quinoline-2-carboxamide
CID 56642778
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide (CID 174438145) is N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide is O=C(NCCCOc1ccc(O)c(Cl)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide?
The InChIKey is RHXIEBJCBYPMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-15-12-14(7-9-18(15)23)25-11-3-10-21-19(24)17-8-6-13-4-1-2-5-16(13)22-17/h1-2,4-9,12,23H,3,10-11H2,(H,21,24).
What are the key properties of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide?
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide is sourced from PubChem (CID 174438145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).