4-[1-(quinolin-5-ylamino)propyl]phenol

C18H18N2O — CID 43192379

IUPAC4-[1-(quinolin-5-ylamino)propyl]phenol
SMILESCCC(Nc1cccc2ncccc12)c1ccc(O)cc1
InChIInChI=1S/C18H18N2O/c1-2-16(13-8-10-14(21)11-9-13)20-18-7-3-6-17-15(18)5-4-12-19-17/h3-12,16,20-21H,2H2,1H3
InChIKeyQLTAYJKNSJPUAT-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.50
Rot. Bonds4

About 4-[1-(quinolin-5-ylamino)propyl]phenol

4-[1-(quinolin-5-ylamino)propyl]phenol (PubChem CID 43192379) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[1-(quinolin-5-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(quinolin-5-ylamino)propyl]phenol
PubChem CID43192379
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[1-(quinolin-5-ylamino)propyl]phenol
SMILESCCC(Nc1cccc2ncccc12)c1ccc(O)cc1
InChIInChI=1S/C18H18N2O/c1-2-16(13-8-10-14(21)11-9-13)20-18-7-3-6-17-15(18)5-4-12-19-17/h3-12,16,20-21H,2H2,1H3
InChIKeyQLTAYJKNSJPUAT-UHFFFAOYSA-N
XLogP4.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)propyl]quinolin-5-amine
CID 43100216
N-(2-methoxy-1-phenylethyl)quinolin-5-amine
CID 103463342
4-[1-(2,1,3-benzoselenadiazol-4-ylamino)propyl]phenol
CID 43715909
6-N-(1-phenylpropyl)quinoline-5,6-diamine
CID 62305552
N-(1-phenylethyl)quinolin-5-amine
CID 43177987
N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine
CID 43689806
N-(1-methoxypropan-2-yl)quinolin-5-amine
CID 62536398
N-[1-(4-ethylphenyl)propyl]-2-methylpyridin-3-amine
CID 79041976
N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
CID 43103629
N-pentan-3-ylquinolin-4-amine
CID 61340263
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178

Frequently Asked Questions

What is the IUPAC name of 4-[1-(quinolin-5-ylamino)propyl]phenol?
The IUPAC name of 4-[1-(quinolin-5-ylamino)propyl]phenol (CID 43192379) is 4-[1-(quinolin-5-ylamino)propyl]phenol.
What is the SMILES notation for 4-[1-(quinolin-5-ylamino)propyl]phenol?
The canonical SMILES for 4-[1-(quinolin-5-ylamino)propyl]phenol is CCC(Nc1cccc2ncccc12)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(quinolin-5-ylamino)propyl]phenol?
The InChIKey is QLTAYJKNSJPUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-16(13-8-10-14(21)11-9-13)20-18-7-3-6-17-15(18)5-4-12-19-17/h3-12,16,20-21H,2H2,1H3.
What are the key properties of 4-[1-(quinolin-5-ylamino)propyl]phenol?
4-[1-(quinolin-5-ylamino)propyl]phenol has a molecular weight of 278.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(quinolin-5-ylamino)propyl]phenol is sourced from PubChem (CID 43192379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).