1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol

C20H22N2O — CID 54525531

IUPAC1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(NCc2ccnc3ccccc23)c1
InChIInChI=1S/C20H22N2O/c1-2-6-20(23)15-7-5-8-17(13-15)22-14-16-11-12-21-19-10-4-3-9-18(16)19/h3-5,7-13,20,22-23H,2,6,14H2,1H3
InChIKeyYSVVDOOWUDVSRG-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.68
Rot. Bonds6

About 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol

1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol (PubChem CID 54525531) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol.

Molecular Properties

Compound Name1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol
PubChem CID54525531
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(NCc2ccnc3ccccc23)c1
InChIInChI=1S/C20H22N2O/c1-2-6-20(23)15-7-5-8-17(13-15)22-14-16-11-12-21-19-10-4-3-9-18(16)19/h3-5,7-13,20,22-23H,2,6,14H2,1H3
InChIKeyYSVVDOOWUDVSRG-UHFFFAOYSA-N
XLogP4.68
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzylamino)phenyl]butan-1-ol
CID 90045597
N-(quinolin-4-ylmethyl)aniline
CID 57199115
3-bromo-N-(quinolin-4-ylmethyl)aniline
CID 55252220
3-(quinolin-4-ylmethylamino)benzamide
CID 63868510
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
3-ethynyl-N-(quinolin-4-ylmethyl)aniline
CID 63868765
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 107268053
1-(quinolin-4-ylamino)pentan-2-ol
CID 113234733
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
CID 174622940

Frequently Asked Questions

What is the IUPAC name of 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol?
The IUPAC name of 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol (CID 54525531) is 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol.
What is the SMILES notation for 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol?
The canonical SMILES for 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol is CCCC(O)c1cccc(NCc2ccnc3ccccc23)c1.
What is the InChIKey of 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol?
The InChIKey is YSVVDOOWUDVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-6-20(23)15-7-5-8-17(13-15)22-14-16-11-12-21-19-10-4-3-9-18(16)19/h3-5,7-13,20,22-23H,2,6,14H2,1H3.
What are the key properties of 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol?
1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol has a molecular weight of 306.41 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol is sourced from PubChem (CID 54525531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).