1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C25H24ClN5O5 — CID 25032104

IUPAC1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1
InChIInChI=1S/C25H24ClN5O5/c1-14-9-23(31-36-14)30-24(32)29-18-4-3-15(10-17(18)26)35-20-5-8-28-19-12-22(21(33-2)11-16(19)20)34-13-25(27)6-7-25/h3-5,8-12H,6-7,13,27H2,1-2H3,(H2,29,30,31,32)
InChIKeyCXNFBTBBHIRYBR-UHFFFAOYSA-N
MW509.95 g/mol
LogP5.50
Rot. Bonds8

About 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 25032104) has the molecular formula C25H24ClN5O5 and a molecular weight of 509.95 g/mol. Its IUPAC name is 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID25032104
Molecular FormulaC25H24ClN5O5
Molecular Weight509.95 g/mol
Exact Mass509.15
IUPAC Name1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1
InChIInChI=1S/C25H24ClN5O5/c1-14-9-23(31-36-14)30-24(32)29-18-4-3-15(10-17(18)26)35-20-5-8-28-19-12-22(21(33-2)11-16(19)20)34-13-25(27)6-7-25/h3-5,8-12H,6-7,13,27H2,1-2H3,(H2,29,30,31,32)
InChIKeyCXNFBTBBHIRYBR-UHFFFAOYSA-N
XLogP5.50
TPSA133.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.95
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea with MolForge

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Related Compounds

Tivozanib
CID 9911830
Tivozanib Hydrochloride
CID 11547978
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea
CID 135271540
1-[2-Chloro-4-(6,7-dimethoxy-quinolin-4-yloxy)-phenyl]-3-(2,4-difluoro-phenyl)-urea
CID 11352232
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
CID 70687766
1-(5-Tert-butylisoxazol-3-yl)-3-[3-(7-ethoxy-6-methoxyquinazolin-4-yloxy)phenyl]urea
CID 56658307
US9730937, Example 11
CID 56661804
1-(5-Tert-butylisoxazol-3-yl)-3-{3-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yloxy]phenyl}urea
CID 56661805
1-(5-Tert-butylisoxazol-3-yl)-3-{3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yloxy]phenyl}urea
CID 56668699
US9730937, Example 299
CID 56675936
1-(3-(6,7-Dimethoxyquinazolin-4-yloxy)phenyl)-3-(5-methylisoxazol-3-yl)urea
CID 56953737
1-(3-(6,7-Dimethoxyquinazolin-4-yloxy)phenyl)-3-(5-isopropylisoxazol-3-yl)urea
CID 56953738

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 25032104) is 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1.
What is the InChIKey of 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is CXNFBTBBHIRYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O5/c1-14-9-23(31-36-14)30-24(32)29-18-4-3-15(10-17(18)26)35-20-5-8-28-19-12-22(21(33-2)11-16(19)20)34-13-25(27)6-7-25/h3-5,8-12H,6-7,13,27H2,1-2H3,(H2,29,30,31,32).
What are the key properties of 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 509.95 g/mol, XLogP of 5.50, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 25032104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).