N-(quinolin-4-ylmethyl)aniline

C16H14N2 — CID 57199115

IUPACN-(quinolin-4-ylmethyl)aniline
SMILESc1ccc(NCc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H14N2/c1-2-6-14(7-3-1)18-12-13-10-11-17-16-9-5-4-8-15(13)16/h1-11,18H,12H2
InChIKeyNOIZBJXSQLMHFV-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.85
Rot. Bonds3

About N-(quinolin-4-ylmethyl)aniline

N-(quinolin-4-ylmethyl)aniline (PubChem CID 57199115) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)aniline
PubChem CID57199115
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC NameN-(quinolin-4-ylmethyl)aniline
SMILESc1ccc(NCc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H14N2/c1-2-6-14(7-3-1)18-12-13-10-11-17-16-9-5-4-8-15(13)16/h1-11,18H,12H2
InChIKeyNOIZBJXSQLMHFV-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
3-bromo-N-(quinolin-4-ylmethyl)aniline
CID 55252220
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
3-ethynyl-N-(quinolin-4-ylmethyl)aniline
CID 63868765
3-(quinolin-4-ylmethylamino)benzamide
CID 63868510
N-(quinazolin-4-ylmethyl)aniline
CID 70295274
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097
1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol
CID 54525531
4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 107268053

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of N-(quinolin-4-ylmethyl)aniline (CID 57199115) is N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for N-(quinolin-4-ylmethyl)aniline is c1ccc(NCc2ccnc3ccccc23)cc1.
What is the InChIKey of N-(quinolin-4-ylmethyl)aniline?
The InChIKey is NOIZBJXSQLMHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-6-14(7-3-1)18-12-13-10-11-17-16-9-5-4-8-15(13)16/h1-11,18H,12H2.
What are the key properties of N-(quinolin-4-ylmethyl)aniline?
N-(quinolin-4-ylmethyl)aniline has a molecular weight of 234.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 57199115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).