4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide

C23H24N4O4 — CID 22936630

IUPAC4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(C)c3C)c2cc1C(N)=O
InChIInChI=1S/C23H24N4O4/c1-12-13(2)19(7-6-17(12)27-23(29)26-14-4-5-14)31-20-8-9-25-18-11-21(30-3)16(22(24)28)10-15(18)20/h6-11,14H,4-5H2,1-3H3,(H2,24,28)(H2,26,27,29)
InChIKeyLOCLJECECJGJOX-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.04
Rot. Bonds6

About 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide

4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 22936630) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID22936630
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(C)c3C)c2cc1C(N)=O
InChIInChI=1S/C23H24N4O4/c1-12-13(2)19(7-6-17(12)27-23(29)26-14-4-5-14)31-20-8-9-25-18-11-21(30-3)16(22(24)28)10-15(18)20/h6-11,14H,4-5H2,1-3H3,(H2,24,28)(H2,26,27,29)
InChIKeyLOCLJECECJGJOX-UHFFFAOYSA-N
XLogP4.04
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 154625445
4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 69373218
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
1-[4-[6-cyano-7-[[(2R)-oxiran-2-yl]methoxy]quinolin-4-yl]oxy-2,3-dimethylphenyl]-3-cyclopropylurea
CID 86591483
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
4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide
CID 22936253
4-[4-(cyclopropylcarbamoylamino)-3-(iodomethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 89337940
1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-cyclopropylurea;cyclopropanamine
CID 160552166
4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide;4-methylbenzenesulfonic acid
CID 50923982
4-[4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 58931475

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide (CID 22936630) is 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(C)c3C)c2cc1C(N)=O.
What is the InChIKey of 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is LOCLJECECJGJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-12-13(2)19(7-6-17(12)27-23(29)26-14-4-5-14)31-20-8-9-25-18-11-21(30-3)16(22(24)28)10-15(18)20/h6-11,14H,4-5H2,1-3H3,(H2,24,28)(H2,26,27,29).
What are the key properties of 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 22936630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).