1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea

C22H23N3O3 — CID 113214884

IUPAC1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
SMILESCOc1ccc(C2(CNC(=O)Nc3cccc4cccnc34)CC2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-18-9-8-16(13-19(18)28-2)22(10-11-22)14-24-21(26)25-17-7-3-5-15-6-4-12-23-20(15)17/h3-9,12-13H,10-11,14H2,1-2H3,(H2,24,25,26)
InChIKeyFECRVXVGUOUDNS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.11
Rot. Bonds6

About 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea

1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea (PubChem CID 113214884) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
PubChem CID113214884
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
SMILESCOc1ccc(C2(CNC(=O)Nc3cccc4cccnc34)CC2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-18-9-8-16(13-19(18)28-2)22(10-11-22)14-24-21(26)25-17-7-3-5-15-6-4-12-23-20(15)17/h3-9,12-13H,10-11,14H2,1-2H3,(H2,24,25,26)
InChIKeyFECRVXVGUOUDNS-UHFFFAOYSA-N
XLogP4.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214114
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214552
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214406
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-quinolin-8-yloxamide
CID 108506300
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
1-propyl-3-quinolin-8-ylurea
CID 13078451
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
1-(2-methoxyphenyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 110438937

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea (CID 113214884) is 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea is COc1ccc(C2(CNC(=O)Nc3cccc4cccnc34)CC2)cc1OC.
What is the InChIKey of 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The InChIKey is FECRVXVGUOUDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-18-9-8-16(13-19(18)28-2)22(10-11-22)14-24-21(26)25-17-7-3-5-15-6-4-12-23-20(15)17/h3-9,12-13H,10-11,14H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea has a molecular weight of 377.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 113214884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).