(2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one

C30H39ClN4O6 — CID 144685640

IUPAC(2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one
SMILESCC.COc1cc2c(=O)cc[nH]c2cc1OCCC(=O)N1CCC2(CCOC2)CC1.NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H26N2O5.C7H7ClN2O.C2H6/c1-26-18-12-15-16(22-7-2-17(15)24)13-19(18)28-10-3-20(25)23-8-4-21(5-9-23)6-11-27-14-21;8-5-3-1-2-4-6(5)10-7(9)11;1-2/h2,7,12-13H,3-6,8-11,14H2,1H3,(H,22,24);1-4H,(H3,9,10,11);1-2H3
InChIKeySICXZJZDJZUEJS-UHFFFAOYSA-N
MW587.12 g/mol
LogP5.19
Rot. Bonds6

About (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one

(2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one (PubChem CID 144685640) has the molecular formula C30H39ClN4O6 and a molecular weight of 587.12 g/mol. Its IUPAC name is (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one.

Molecular Properties

Compound Name(2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one
PubChem CID144685640
Molecular FormulaC30H39ClN4O6
Molecular Weight587.12 g/mol
Exact Mass586.26
IUPAC Name(2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one
SMILESCC.COc1cc2c(=O)cc[nH]c2cc1OCCC(=O)N1CCC2(CCOC2)CC1.NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H26N2O5.C7H7ClN2O.C2H6/c1-26-18-12-15-16(22-7-2-17(15)24)13-19(18)28-10-3-20(25)23-8-4-21(5-9-23)6-11-27-14-21;8-5-3-1-2-4-6(5)10-7(9)11;1-2/h2,7,12-13H,3-6,8-11,14H2,1H3,(H,22,24);1-4H,(H3,9,10,11);1-2H3
InChIKeySICXZJZDJZUEJS-UHFFFAOYSA-N
XLogP5.19
TPSA135.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.12
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate
CID 67265186
2-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-oxopropoxy]quinazolin-4-yl]oxyanilino]-N-(2,5-dimethylhepta-1,3,5-trien-3-yl)acetamide
CID 123475798
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]hexan-2-one
CID 158176364
4-[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 157082429
(3S)-1-[3-(2-chlorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129369041
ethane;4-[6-methoxy-4-(7-methyloct-3-en-4-yloxy)quinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 144685642
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 119813660
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
4-[6-methoxy-4-(7-methyloct-3-en-4-yloxy)quinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 144685643
1-(2-chloro-4-hydroxyphenyl)-3-cyclopropylurea;7-methoxy-4-oxo-1H-quinoline-6-carboxamide
CID 158058213

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one?
The IUPAC name of (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one (CID 144685640) is (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one.
What is the SMILES notation for (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one?
The canonical SMILES for (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one is CC.COc1cc2c(=O)cc[nH]c2cc1OCCC(=O)N1CCC2(CCOC2)CC1.NC(=O)Nc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one?
The InChIKey is SICXZJZDJZUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5.C7H7ClN2O.C2H6/c1-26-18-12-15-16(22-7-2-17(15)24)13-19(18)28-10-3-20(25)23-8-4-21(5-9-23)6-11-27-14-21;8-5-3-1-2-4-6(5)10-7(9)11;1-2/h2,7,12-13H,3-6,8-11,14H2,1H3,(H,22,24);1-4H,(H3,9,10,11);1-2H3.
What are the key properties of (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one?
(2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one has a molecular weight of 587.12 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one is sourced from PubChem (CID 144685640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).