1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine

C32H33N5O3 — CID 160552166

IUPAC1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine
SMILESCc1c(NC(=O)NC2CC2)ccc(Oc2ccnc3cc(OCc4ccccc4)c(C#N)cc23)c1C.NC1CC1
InChIInChI=1S/C29H26N4O3.C3H7N/c1-18-19(2)26(11-10-24(18)33-29(34)32-22-8-9-22)36-27-12-13-31-25-15-28(21(16-30)14-23(25)27)35-17-20-6-4-3-5-7-20;4-3-1-2-3/h3-7,10-15,22H,8-9,17H2,1-2H3,(H2,32,33,34);3H,1-2,4H2
InChIKeyQYFJZCSPBDWLFF-UHFFFAOYSA-N
MW535.65 g/mol
LogP6.49
Rot. Bonds7

About 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine

1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine (PubChem CID 160552166) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine.

Molecular Properties

Compound Name1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine
PubChem CID160552166
Molecular FormulaC32H33N5O3
Molecular Weight535.65 g/mol
Exact Mass535.26
IUPAC Name1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine
SMILESCc1c(NC(=O)NC2CC2)ccc(Oc2ccnc3cc(OCc4ccccc4)c(C#N)cc23)c1C.NC1CC1
InChIInChI=1S/C29H26N4O3.C3H7N/c1-18-19(2)26(11-10-24(18)33-29(34)32-22-8-9-22)36-27-12-13-31-25-15-28(21(16-30)14-23(25)27)35-17-20-6-4-3-5-7-20;4-3-1-2-3/h3-7,10-15,22H,8-9,17H2,1-2H3,(H2,32,33,34);3H,1-2,4H2
InChIKeyQYFJZCSPBDWLFF-UHFFFAOYSA-N
XLogP6.49
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[6-cyano-7-[[(2R)-oxiran-2-yl]methoxy]quinolin-4-yl]oxy-2,3-dimethylphenyl]-3-cyclopropylurea
CID 86591483
1-[4-[6-cyano-7-[(2R)-4-oxo-2-(pyrrolidin-1-ylmethyl)but-3-enoxy]quinolin-4-yl]oxy-2,3-dimethylphenyl]-3-cyclopropylurea
CID 142137185
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
1-[4-(6-cyano-7-hydroxyquinolin-4-yl)oxy-2-methylphenyl]-3-cyclopropylurea;1-[4-[6-cyano-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxy-2-methylphenyl]-3-cyclopropylurea
CID 159374911
1-[4-[6-cyano-7-[(2R)-3-(diethylamino)-2-hydroxypropoxy]quinolin-4-yl]oxy-2,3-dimethylphenyl]-3-propylurea
CID 71197863
tert-butyl 4-[1-[4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-6-cyanoquinolin-7-yl]oxyethyl]piperidine-1-carboxylate
CID 22936305
4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide
CID 22936253
1-[2-chloro-4-[7-phenylmethoxy-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)quinolin-4-yl]oxyphenyl]-3-cyclopropylurea
CID 156558865
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
2-[4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinolin-6-yl]acetamide
CID 140941284
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 58931191
tert-butyl 4-[[6-cyano-4-[3-fluoro-4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 67203610

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine?
The IUPAC name of 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine (CID 160552166) is 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine.
What is the SMILES notation for 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine?
The canonical SMILES for 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine is Cc1c(NC(=O)NC2CC2)ccc(Oc2ccnc3cc(OCc4ccccc4)c(C#N)cc23)c1C.NC1CC1.
What is the InChIKey of 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine?
The InChIKey is QYFJZCSPBDWLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3.C3H7N/c1-18-19(2)26(11-10-24(18)33-29(34)32-22-8-9-22)36-27-12-13-31-25-15-28(21(16-30)14-23(25)27)35-17-20-6-4-3-5-7-20;4-3-1-2-3/h3-7,10-15,22H,8-9,17H2,1-2H3,(H2,32,33,34);3H,1-2,4H2.
What are the key properties of 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine?
1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine has a molecular weight of 535.65 g/mol, XLogP of 6.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine is sourced from PubChem (CID 160552166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).