[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride

C28H31ClN4O — CID 173037998

IUPAC[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2nc3ccnc(CCCN4CCOCC4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H30N4O.ClH/c29-20-21-8-10-23(11-9-21)28-24(22-5-2-1-3-6-22)19-25-26(30-13-12-27(25)31-28)7-4-14-32-15-17-33-18-16-32;/h1-3,5-6,8-13,19H,4,7,14-18,20,29H2;1H
InChIKeyZJLYWXZGYLGTEV-UHFFFAOYSA-N
MW475.04 g/mol
LogP5.11
Rot. Bonds7

About [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride

[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride (PubChem CID 173037998) has the molecular formula C28H31ClN4O and a molecular weight of 475.04 g/mol. Its IUPAC name is [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride
PubChem CID173037998
Molecular FormulaC28H31ClN4O
Molecular Weight475.04 g/mol
Exact Mass474.22
IUPAC Name[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2nc3ccnc(CCCN4CCOCC4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H30N4O.ClH/c29-20-21-8-10-23(11-9-21)28-24(22-5-2-1-3-6-22)19-25-26(30-13-12-27(25)31-28)7-4-14-32-15-17-33-18-16-32;/h1-3,5-6,8-13,19H,4,7,14-18,20,29H2;1H
InChIKeyZJLYWXZGYLGTEV-UHFFFAOYSA-N
XLogP5.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
CID 58524482
[4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
CID 58524701
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[2-[3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]propoxy]phenyl]methanol;2,2,2-trifluoroacetic acid
CID 171929561
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
CID 123711082
4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
CID 173038113
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 59473066
tert-butyl N-[[4-[5-(3-hydroxypropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524619
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride (CID 173037998) is [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2nc3ccnc(CCCN4CCOCC4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride?
The InChIKey is ZJLYWXZGYLGTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O.ClH/c29-20-21-8-10-23(11-9-21)28-24(22-5-2-1-3-6-22)19-25-26(30-13-12-27(25)31-28)7-4-14-32-15-17-33-18-16-32;/h1-3,5-6,8-13,19H,4,7,14-18,20,29H2;1H.
What are the key properties of [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride?
[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride has a molecular weight of 475.04 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 173037998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).