N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide

C32H24N4O — CID 142723917

IUPACN-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cccc(NCc2ccnc3ccccc23)c1)c1ccnc2ccccc12
InChIInChI=1S/C32H24N4O/c37-32(28-17-19-34-30-14-5-3-12-27(28)30)36-31-15-6-2-10-25(31)22-8-7-9-24(20-22)35-21-23-16-18-33-29-13-4-1-11-26(23)29/h1-20,35H,21H2,(H,36,37)
InChIKeyMYHQVFUQDLNPOD-UHFFFAOYSA-N
MW480.57 g/mol
LogP7.31
Rot. Bonds6

About N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide

N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide (PubChem CID 142723917) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide
PubChem CID142723917
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC NameN-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cccc(NCc2ccnc3ccccc23)c1)c1ccnc2ccccc12
InChIInChI=1S/C32H24N4O/c37-32(28-17-19-34-30-14-5-3-12-27(28)30)36-31-15-6-2-10-25(31)22-8-7-9-24(20-22)35-21-23-16-18-33-29-13-4-1-11-26(23)29/h1-20,35H,21H2,(H,36,37)
InChIKeyMYHQVFUQDLNPOD-UHFFFAOYSA-N
XLogP7.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide
CID 142724022
3-(quinolin-4-ylmethylamino)benzamide
CID 63868510
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272
N-(quinolin-4-ylmethyl)aniline
CID 57199115
3-bromo-N-(quinolin-4-ylmethyl)aniline
CID 55252220
N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide
CID 91238971
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
N-[6-[4-(benzylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide
CID 142724053
3-ethynyl-N-(quinolin-4-ylmethyl)aniline
CID 63868765
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide (CID 142723917) is N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide is O=C(Nc1ccccc1-c1cccc(NCc2ccnc3ccccc23)c1)c1ccnc2ccccc12.
What is the InChIKey of N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide?
The InChIKey is MYHQVFUQDLNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O/c37-32(28-17-19-34-30-14-5-3-12-27(28)30)36-31-15-6-2-10-25(31)22-8-7-9-24(20-22)35-21-23-16-18-33-29-13-4-1-11-26(23)29/h1-20,35H,21H2,(H,36,37).
What are the key properties of N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide?
N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 7.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 142723917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).