4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide

C21H18F2N4O4 — CID 154625445

IUPAC4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cc(F)c(NC(=O)NC4CC4)cc3F)c2cc1C(N)=O
InChIInChI=1S/C21H18F2N4O4/c1-30-18-9-15-11(6-12(18)20(24)28)17(4-5-25-15)31-19-8-13(22)16(7-14(19)23)27-21(29)26-10-2-3-10/h4-10H,2-3H2,1H3,(H2,24,28)(H2,26,27,29)
InChIKeyZHRMANKDVSMIMR-UHFFFAOYSA-N
MW428.40 g/mol
LogP3.70
Rot. Bonds6

About 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide

4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 154625445) has the molecular formula C21H18F2N4O4 and a molecular weight of 428.40 g/mol. Its IUPAC name is 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID154625445
Molecular FormulaC21H18F2N4O4
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC Name4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cc(F)c(NC(=O)NC4CC4)cc3F)c2cc1C(N)=O
InChIInChI=1S/C21H18F2N4O4/c1-30-18-9-15-11(6-12(18)20(24)28)17(4-5-25-15)31-19-8-13(22)16(7-14(19)23)27-21(29)26-10-2-3-10/h4-10H,2-3H2,1H3,(H2,24,28)(H2,26,27,29)
InChIKeyZHRMANKDVSMIMR-UHFFFAOYSA-N
XLogP3.70
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide with MolForge

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Related Compounds

4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide
CID 22936253
4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 69373218
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-[4-(cyclopropylcarbamoylamino)-3-methylphenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 22936274
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 10049743
4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
CID 22936652
4-[4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 58931475
4-[3-chloro-4-[(1,2,2,3,3-pentadeuteriocyclopropyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 162640491
4-[3-chloro-4-[[(Z)-1-(cyclobutylamino)prop-1-enyl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 145166651
N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide
CID 155382115
4-[4-(cyclopropylcarbamoylamino)-3-(iodomethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 89337940

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide (CID 154625445) is 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3cc(F)c(NC(=O)NC4CC4)cc3F)c2cc1C(N)=O.
What is the InChIKey of 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is ZHRMANKDVSMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O4/c1-30-18-9-15-11(6-12(18)20(24)28)17(4-5-25-15)31-19-8-13(22)16(7-14(19)23)27-21(29)26-10-2-3-10/h4-10H,2-3H2,1H3,(H2,24,28)(H2,26,27,29).
What are the key properties of 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 154625445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).