2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol

C27H35N5O3 — CID 126601773

IUPAC2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol
SMILESC[C@H]1COCCN1c1cc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNCCO)cc3)nc2n1
InChIInChI=1S/C27H35N5O3/c1-19-17-34-13-10-31(19)25-15-26(32-11-14-35-18-20(32)2)30-27-23(25)7-8-24(29-27)22-5-3-21(4-6-22)16-28-9-12-33/h3-8,15,19-20,28,33H,9-14,16-18H2,1-2H3/t19-,20-/m0/s1
InChIKeyWGBZONARTMXJQI-PMACEKPBSA-N
MW477.61 g/mol
LogP2.83
Rot. Bonds7

About 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol

2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol (PubChem CID 126601773) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol
PubChem CID126601773
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol
SMILESC[C@H]1COCCN1c1cc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNCCO)cc3)nc2n1
InChIInChI=1S/C27H35N5O3/c1-19-17-34-13-10-31(19)25-15-26(32-11-14-35-18-20(32)2)30-27-23(25)7-8-24(29-27)22-5-3-21(4-6-22)16-28-9-12-33/h3-8,15,19-20,28,33H,9-14,16-18H2,1-2H3/t19-,20-/m0/s1
InChIKeyWGBZONARTMXJQI-PMACEKPBSA-N
XLogP2.83
TPSA82.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol with MolForge

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Related Compounds

Vistusertib
CID 25262792
Gdc-0349
CID 59239165
Bexotegras
CID 135390719
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 1091839
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328
4-(2-(2-(6-(Pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706604
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
N-(4-methylphenyl)-4-(morpholin-4-yl)quinazolin-2-amine
CID 784132
2-(4-{4-[(1-Phenylethyl)amino]quinazolin-2-yl}piperazin-1-yl)ethanol
CID 2989844
N*1*-[7-(4-Morpholin-4-yl-phenyl)-[1,6]naphthyridin-5-yl]-propane-1,3-diamine
CID 9820420

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol (CID 126601773) is 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol is C[C@H]1COCCN1c1cc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNCCO)cc3)nc2n1.
What is the InChIKey of 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol?
The InChIKey is WGBZONARTMXJQI-PMACEKPBSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-19-17-34-13-10-31(19)25-15-26(32-11-14-35-18-20(32)2)30-27-23(25)7-8-24(29-27)22-5-3-21(4-6-22)16-28-9-12-33/h3-8,15,19-20,28,33H,9-14,16-18H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol?
2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol has a molecular weight of 477.61 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol is sourced from PubChem (CID 126601773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).