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

C19H24N2O4 — CID 177077600

IUPAC(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
SMILESCCCCOc1cc(OC)nc2ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H24N2O4/c1-3-4-9-25-17-13-18(23-2)20-16-6-5-14(12-15(16)17)19(22)21-7-10-24-11-8-21/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyNYUABJVZZXLNHF-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.89
Rot. Bonds6

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

(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone (PubChem CID 177077600) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
PubChem CID177077600
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
SMILESCCCCOc1cc(OC)nc2ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H24N2O4/c1-3-4-9-25-17-13-18(23-2)20-16-6-5-14(12-15(16)17)19(22)21-7-10-24-11-8-21/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyNYUABJVZZXLNHF-UHFFFAOYSA-N
XLogP2.89
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077562
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 177077561
1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496456
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979

Frequently Asked Questions

What is the IUPAC name of (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone (CID 177077600) is (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone is CCCCOc1cc(OC)nc2ccc(C(=O)N3CCOCC3)cc12.
What is the InChIKey of (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone?
The InChIKey is NYUABJVZZXLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-4-9-25-17-13-18(23-2)20-16-6-5-14(12-15(16)17)19(22)21-7-10-24-11-8-21/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone?
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone has a molecular weight of 344.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 177077600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).