2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile

C15H16N4O2 — CID 86049209

IUPAC2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile
SMILESCOc1ccc(N2CCOCC2)c2cc(C#N)c(N)nc12
InChIInChI=1S/C15H16N4O2/c1-20-13-3-2-12(19-4-6-21-7-5-19)11-8-10(9-16)15(17)18-14(11)13/h2-3,8H,4-7H2,1H3,(H2,17,18)
InChIKeyALICLLKIXWBGTK-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile

2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile (PubChem CID 86049209) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile
PubChem CID86049209
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile
SMILESCOc1ccc(N2CCOCC2)c2cc(C#N)c(N)nc12
InChIInChI=1S/C15H16N4O2/c1-20-13-3-2-12(19-4-6-21-7-5-19)11-8-10(9-16)15(17)18-14(11)13/h2-3,8H,4-7H2,1H3,(H2,17,18)
InChIKeyALICLLKIXWBGTK-UHFFFAOYSA-N
XLogP1.53
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-N-methyl-5-morpholin-4-ylquinazolin-2-amine
CID 23157783
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile
CID 66632477
2-amino-6-morpholin-4-yl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 14832727
5-amino-4-[(3-chloro-4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazoline-6-carbonitrile
CID 151349652
(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
2-morpholin-4-ylbenzonitrile
CID 2737012
5-[[(4-bromo-2-morpholin-4-ylphenyl)methylamino]methyl]-2-methoxybenzonitrile
CID 167806642
13-(4-ethynyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88924483
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile
CID 6282774
iodo-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]methanol
CID 163815671

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile?
The IUPAC name of 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile (CID 86049209) is 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile is COc1ccc(N2CCOCC2)c2cc(C#N)c(N)nc12.
What is the InChIKey of 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile?
The InChIKey is ALICLLKIXWBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-13-3-2-12(19-4-6-21-7-5-19)11-8-10(9-16)15(17)18-14(11)13/h2-3,8H,4-7H2,1H3,(H2,17,18).
What are the key properties of 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile?
2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile is sourced from PubChem (CID 86049209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).