methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate

C23H23N3O4 — CID 55396891

IUPACmethyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C23H23N3O4/c1-14(2)20-12-18(17-6-4-5-7-19(17)26-20)23(29)25-16-10-8-15(9-11-16)22(28)24-13-21(27)30-3/h4-12,14H,13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyNCKIRNMELBUIJC-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.51
Rot. Bonds6

About methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate

methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate (PubChem CID 55396891) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
PubChem CID55396891
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Namemethyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C23H23N3O4/c1-14(2)20-12-18(17-6-4-5-7-19(17)26-20)23(29)25-16-10-8-15(9-11-16)22(28)24-13-21(27)30-3/h4-12,14H,13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyNCKIRNMELBUIJC-UHFFFAOYSA-N
XLogP3.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate with MolForge

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide
CID 44534346

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate (CID 55396891) is methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1.
What is the InChIKey of methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate?
The InChIKey is NCKIRNMELBUIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14(2)20-12-18(17-6-4-5-7-19(17)26-20)23(29)25-16-10-8-15(9-11-16)22(28)24-13-21(27)30-3/h4-12,14H,13H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate?
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate has a molecular weight of 405.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate is sourced from PubChem (CID 55396891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).