ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene

C32H45N3O6 — CID 172574364

IUPACethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene
SMILESC=CC.CC.CC.COCCOc1ccc2[nH]c(=O)c(C(=O)Nc3ccc(C(=O)N4CCCOCC4)cc3)cc2c1
InChIInChI=1S/C25H27N3O6.C3H6.2C2H6/c1-32-13-14-34-20-7-8-22-18(15-20)16-21(24(30)27-22)23(29)26-19-5-3-17(4-6-19)25(31)28-9-2-11-33-12-10-28;1-3-2;2*1-2/h3-8,15-16H,2,9-14H2,1H3,(H,26,29)(H,27,30);3H,1H2,2H3;2*1-2H3
InChIKeyNJZVEVMNXTVFAV-UHFFFAOYSA-N
MW567.73 g/mol
LogP5.91
Rot. Bonds7

About ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene

ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene (PubChem CID 172574364) has the molecular formula C32H45N3O6 and a molecular weight of 567.73 g/mol. Its IUPAC name is ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene.

Molecular Properties

Compound Nameethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene
PubChem CID172574364
Molecular FormulaC32H45N3O6
Molecular Weight567.73 g/mol
Exact Mass567.33
IUPAC Nameethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene
SMILESC=CC.CC.CC.COCCOc1ccc2[nH]c(=O)c(C(=O)Nc3ccc(C(=O)N4CCCOCC4)cc3)cc2c1
InChIInChI=1S/C25H27N3O6.C3H6.2C2H6/c1-32-13-14-34-20-7-8-22-18(15-20)16-21(24(30)27-22)23(29)26-19-5-3-17(4-6-19)25(31)28-9-2-11-33-12-10-28;1-3-2;2*1-2/h3-8,15-16H,2,9-14H2,1H3,(H,26,29)(H,27,30);3H,1H2,2H3;2*1-2H3
InChIKeyNJZVEVMNXTVFAV-UHFFFAOYSA-N
XLogP5.91
TPSA109.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 172574365
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate
CID 17194785
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
7-[bis(2-fluoroethyl)amino]-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxochromene-3-carboxamide
CID 172574387
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55728032
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
6-amino-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide;hydrochloride
CID 169001814
7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide
CID 169320058
N-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103828
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539

Frequently Asked Questions

What is the IUPAC name of ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene?
The IUPAC name of ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene (CID 172574364) is ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene.
What is the SMILES notation for ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene?
The canonical SMILES for ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene is C=CC.CC.CC.COCCOc1ccc2[nH]c(=O)c(C(=O)Nc3ccc(C(=O)N4CCCOCC4)cc3)cc2c1.
What is the InChIKey of ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene?
The InChIKey is NJZVEVMNXTVFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6.C3H6.2C2H6/c1-32-13-14-34-20-7-8-22-18(15-20)16-21(24(30)27-22)23(29)26-19-5-3-17(4-6-19)25(31)28-9-2-11-33-12-10-28;1-3-2;2*1-2/h3-8,15-16H,2,9-14H2,1H3,(H,26,29)(H,27,30);3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene?
ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene has a molecular weight of 567.73 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene is sourced from PubChem (CID 172574364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).