(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone

C15H15N5O3 — CID 177077562

IUPAC(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
SMILESCOc1cc(N=[N+]=[N-])c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C15H15N5O3/c1-22-14-9-13(18-19-16)11-8-10(2-3-12(11)17-14)15(21)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3
InChIKeyVAVSYQIFCKQXDN-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.66
Rot. Bonds3

About (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone

(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone (PubChem CID 177077562) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
PubChem CID177077562
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
SMILESCOc1cc(N=[N+]=[N-])c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C15H15N5O3/c1-22-14-9-13(18-19-16)11-8-10(2-3-12(11)17-14)15(21)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3
InChIKeyVAVSYQIFCKQXDN-UHFFFAOYSA-N
XLogP2.66
TPSA100.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
CID 177077740
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 177077561
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone
CID 177077621
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
CID 167445629
(3-azido-4-methyl-5-nitrophenyl)-morpholin-4-ylmethanone
CID 169325446
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322

Frequently Asked Questions

What is the IUPAC name of (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone (CID 177077562) is (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone is COc1cc(N=[N+]=[N-])c2cc(C(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone?
The InChIKey is VAVSYQIFCKQXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-22-14-9-13(18-19-16)11-8-10(2-3-12(11)17-14)15(21)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone?
(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone has a molecular weight of 313.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 177077562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).