1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea

C30H37ClN4O8 — CID 143120833

IUPAC1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea
SMILESCOc1cc2c(OC3=CCC(NC(=O)NC4CC4)C(Cl)=C3)ccnc2cc1OCC(O)CC(O)CC(=O)N1CCOCC1
InChIInChI=1S/C30H37ClN4O8/c1-40-27-15-22-25(16-28(27)42-17-20(37)12-19(36)13-29(38)35-8-10-41-11-9-35)32-7-6-26(22)43-21-4-5-24(23(31)14-21)34-30(39)33-18-2-3-18/h4,6-7,14-16,18-20,24,36-37H,2-3,5,8-13,17H2,1H3,(H2,33,34,39)
InChIKeyKFPDESISQUUONY-UHFFFAOYSA-N
MW617.10 g/mol
LogP2.60
Rot. Bonds12

About 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea

1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea (PubChem CID 143120833) has the molecular formula C30H37ClN4O8 and a molecular weight of 617.10 g/mol. Its IUPAC name is 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea
PubChem CID143120833
Molecular FormulaC30H37ClN4O8
Molecular Weight617.10 g/mol
Exact Mass616.23
IUPAC Name1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea
SMILESCOc1cc2c(OC3=CCC(NC(=O)NC4CC4)C(Cl)=C3)ccnc2cc1OCC(O)CC(O)CC(=O)N1CCOCC1
InChIInChI=1S/C30H37ClN4O8/c1-40-27-15-22-25(16-28(27)42-17-20(37)12-19(36)13-29(38)35-8-10-41-11-9-35)32-7-6-26(22)43-21-4-5-24(23(31)14-21)34-30(39)33-18-2-3-18/h4,6-7,14-16,18-20,24,36-37H,2-3,5,8-13,17H2,1H3,(H2,33,34,39)
InChIKeyKFPDESISQUUONY-UHFFFAOYSA-N
XLogP2.60
TPSA151.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.10
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea with MolForge

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Related Compounds

1-[4-[7-[6-(azetidin-1-yl)-2,4-dihydroxy-6-oxohexoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-cyclopropylurea
CID 11592341
N-carbamothioyl-N-[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]acetamide
CID 87305708
N-[[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-methylphenyl)acetamide
CID 58249416
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-propan-2-ylphenyl)urea
CID 141472643
N-[[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-methylphenyl)acetamide
CID 58249344
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 58739019
2-[4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinolin-6-yl]acetamide
CID 140941284
1-[2-chloro-4-[7-methoxy-6-(1-prop-2-enoylpiperidin-4-yl)quinolin-4-yl]oxyphenyl]-3-cyclopropylurea
CID 156540249
N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide
CID 58732910
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
N-[[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-sulfanylcarbamoyl]-2-(2-fluorophenyl)acetamide
CID 87529978
4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
CID 16734304

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea?
The IUPAC name of 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea (CID 143120833) is 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea is COc1cc2c(OC3=CCC(NC(=O)NC4CC4)C(Cl)=C3)ccnc2cc1OCC(O)CC(O)CC(=O)N1CCOCC1.
What is the InChIKey of 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea?
The InChIKey is KFPDESISQUUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN4O8/c1-40-27-15-22-25(16-28(27)42-17-20(37)12-19(36)13-29(38)35-8-10-41-11-9-35)32-7-6-26(22)43-21-4-5-24(23(31)14-21)34-30(39)33-18-2-3-18/h4,6-7,14-16,18-20,24,36-37H,2-3,5,8-13,17H2,1H3,(H2,33,34,39).
What are the key properties of 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea?
1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea has a molecular weight of 617.10 g/mol, XLogP of 2.60, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[7-(2,4-dihydroxy-6-morpholin-4-yl-6-oxohexoxy)-6-methoxyquinolin-4-yl]oxycyclohexa-2,4-dien-1-yl]-3-cyclopropylurea is sourced from PubChem (CID 143120833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).