N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide

C35H33ClN4O7 — CID 58768447

IUPACN-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide
SMILESO=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc3c(cc2o1)OCO3
InChIInChI=1S/C35H33ClN4O7/c36-24-9-7-22(8-10-24)16-26(37-34(43)32-18-28(41)25-17-30-31(46-21-45-30)19-29(25)47-32)35(44)39-14-12-38(13-15-39)27-5-2-1-4-23(27)20-40-11-3-6-33(40)42/h1-2,4-5,7-10,17-19,26H,3,6,11-16,20-21H2,(H,37,43)/t26-/m1/s1
InChIKeyOGXYLKXSPSMGEH-AREMUKBSSA-N
MW657.12 g/mol
LogP3.99
Rot. Bonds8

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide (PubChem CID 58768447) has the molecular formula C35H33ClN4O7 and a molecular weight of 657.12 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide
PubChem CID58768447
Molecular FormulaC35H33ClN4O7
Molecular Weight657.12 g/mol
Exact Mass656.20
IUPAC NameN-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide
SMILESO=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc3c(cc2o1)OCO3
InChIInChI=1S/C35H33ClN4O7/c36-24-9-7-22(8-10-24)16-26(37-34(43)32-18-28(41)25-17-30-31(46-21-45-30)19-29(25)47-32)35(44)39-14-12-38(13-15-39)27-5-2-1-4-23(27)20-40-11-3-6-33(40)42/h1-2,4-5,7-10,17-19,26H,3,6,11-16,20-21H2,(H,37,43)/t26-/m1/s1
InChIKeyOGXYLKXSPSMGEH-AREMUKBSSA-N
XLogP3.99
TPSA121.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.12
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dihydroxy-4-oxochromene-2-carboxamide
CID 58768257
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide
CID 58768354
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6-ethyl-4-oxochromene-2-carboxamide
CID 58768441
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 58768360
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide
CID 58768281
6-[acetyl(methyl)amino]-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768255
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide
CID 58768432
7-fluoro-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768289
6-chloro-N-[(2S)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58917533
N-[(2S)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-6,7-dihydroxy-4-oxochromene-2-carboxamide
CID 58917741
6-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768392
N-[(2R)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]propan-2-yl]-6,7-dihydroxy-4-oxochromene-2-carboxamide
CID 58917368

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide?
The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide (CID 58768447) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide.
What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide?
The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide is O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc3c(cc2o1)OCO3.
What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide?
The InChIKey is OGXYLKXSPSMGEH-AREMUKBSSA-N. The full InChI is InChI=1S/C35H33ClN4O7/c36-24-9-7-22(8-10-24)16-26(37-34(43)32-18-28(41)25-17-30-31(46-21-45-30)19-29(25)47-32)35(44)39-14-12-38(13-15-39)27-5-2-1-4-23(27)20-40-11-3-6-33(40)42/h1-2,4-5,7-10,17-19,26H,3,6,11-16,20-21H2,(H,37,43)/t26-/m1/s1.
What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide?
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide has a molecular weight of 657.12 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carboxamide is sourced from PubChem (CID 58768447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).