2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol

C18H18N2O2 — CID 39746224

IUPAC2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CNc2ccc3cccnc3c2)cc1
InChIInChI=1S/C18H18N2O2/c21-10-11-22-17-7-3-14(4-8-17)13-20-16-6-5-15-2-1-9-19-18(15)12-16/h1-9,12,20-21H,10-11,13H2
InChIKeyZQMLDSABEDTZAA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.22
Rot. Bonds6

About 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol

2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol (PubChem CID 39746224) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol
PubChem CID39746224
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CNc2ccc3cccnc3c2)cc1
InChIInChI=1S/C18H18N2O2/c21-10-11-22-17-7-3-14(4-8-17)13-20-16-6-5-15-2-1-9-19-18(15)12-16/h1-9,12,20-21H,10-11,13H2
InChIKeyZQMLDSABEDTZAA-UHFFFAOYSA-N
XLogP3.22
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine
CID 141109209
4-bromo-N-(2-quinolin-7-yloxyethyl)aniline
CID 107315214
N-(3-quinolin-7-yloxypropyl)aniline
CID 107315213
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 16677694
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
2-(methylamino)-4-quinolin-7-yloxybutan-1-ol
CID 107315572
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol (CID 39746224) is 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol is OCCOc1ccc(CNc2ccc3cccnc3c2)cc1.
What is the InChIKey of 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol?
The InChIKey is ZQMLDSABEDTZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-10-11-22-17-7-3-14(4-8-17)13-20-16-6-5-15-2-1-9-19-18(15)12-16/h1-9,12,20-21H,10-11,13H2.
What are the key properties of 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol?
2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol has a molecular weight of 294.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 39746224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).