7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one

C48H51BrN10O8 — CID 159845808

IUPAC7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one
SMILESCOc1ccc(Br)cc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1.COc1ccc(N2CCOC2=O)cc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1.O=C1NCCO1
InChIInChI=1S/C24H25N5O4.C21H21BrN4O2.C3H5NO2/c1-13(14-3-4-14)26-21-17-7-5-15(11-19(17)27-28-22(21)23(25)30)18-12-16(6-8-20(18)32-2)29-9-10-33-24(29)31;1-11(12-3-4-12)24-19-15-7-5-13(9-17(15)25-26-20(19)21(23)27)16-10-14(22)6-8-18(16)28-2;5-3-4-1-2-6-3/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,25,30)(H,26,27);5-12H,3-4H2,1-2H3,(H2,23,27)(H,24,25);1-2H2,(H,4,5)/t13-;11-;/m11./s1
InChIKeyNPHAPMZUQUJEOO-IOAAJXMHSA-N
MW975.90 g/mol
LogP7.67
Rot. Bonds13

About 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one

7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one (PubChem CID 159845808) has the molecular formula C48H51BrN10O8 and a molecular weight of 975.90 g/mol. Its IUPAC name is 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one.

Molecular Properties

Compound Name7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one
PubChem CID159845808
Molecular FormulaC48H51BrN10O8
Molecular Weight975.90 g/mol
Exact Mass974.31
IUPAC Name7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one
SMILESCOc1ccc(Br)cc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1.COc1ccc(N2CCOC2=O)cc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1.O=C1NCCO1
InChIInChI=1S/C24H25N5O4.C21H21BrN4O2.C3H5NO2/c1-13(14-3-4-14)26-21-17-7-5-15(11-19(17)27-28-22(21)23(25)30)18-12-16(6-8-20(18)32-2)29-9-10-33-24(29)31;1-11(12-3-4-12)24-19-15-7-5-13(9-17(15)25-26-20(19)21(23)27)16-10-14(22)6-8-18(16)28-2;5-3-4-1-2-6-3/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,25,30)(H,26,27);5-12H,3-4H2,1-2H3,(H2,23,27)(H,24,25);1-2H2,(H,4,5)/t13-;11-;/m11./s1
InChIKeyNPHAPMZUQUJEOO-IOAAJXMHSA-N
XLogP7.67
TPSA248.13 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.90
LogP ≤ 57.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one?
The IUPAC name of 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one (CID 159845808) is 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one.
What is the SMILES notation for 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one?
The canonical SMILES for 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one is COc1ccc(Br)cc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1.COc1ccc(N2CCOC2=O)cc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1.O=C1NCCO1.
What is the InChIKey of 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one?
The InChIKey is NPHAPMZUQUJEOO-IOAAJXMHSA-N. The full InChI is InChI=1S/C24H25N5O4.C21H21BrN4O2.C3H5NO2/c1-13(14-3-4-14)26-21-17-7-5-15(11-19(17)27-28-22(21)23(25)30)18-12-16(6-8-20(18)32-2)29-9-10-33-24(29)31;1-11(12-3-4-12)24-19-15-7-5-13(9-17(15)25-26-20(19)21(23)27)16-10-14(22)6-8-18(16)28-2;5-3-4-1-2-6-3/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,25,30)(H,26,27);5-12H,3-4H2,1-2H3,(H2,23,27)(H,24,25);1-2H2,(H,4,5)/t13-;11-;/m11./s1.
What are the key properties of 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one?
7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one has a molecular weight of 975.90 g/mol, XLogP of 7.67, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one is sourced from PubChem (CID 159845808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).