2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid

C34H39N7O10 — CID 101390689

IUPAC2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCc1cc(=O)[nH]c2cc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc3ccc4c(C)cc(=O)[nH]c4c3)CC(=O)O)CC(=O)O)ccc12
InChIInChI=1S/C34H39N7O10/c1-20-11-28(42)37-26-13-22(3-5-24(20)26)35-30(44)15-40(18-33(48)49)9-7-39(17-32(46)47)8-10-41(19-34(50)51)16-31(45)36-23-4-6-25-21(2)12-29(43)38-27(25)14-23/h3-6,11-14H,7-10,15-19H2,1-2H3,(H,35,44)(H,36,45)(H,37,42)(H,38,43)(H,46,47)(H,48,49)(H,50,51)
InChIKeyNFRWQIQZNGSFNX-UHFFFAOYSA-N
MW705.73 g/mol
LogP0.72
Rot. Bonds18

About 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid

2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid (PubChem CID 101390689) has the molecular formula C34H39N7O10 and a molecular weight of 705.73 g/mol. Its IUPAC name is 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
PubChem CID101390689
Molecular FormulaC34H39N7O10
Molecular Weight705.73 g/mol
Exact Mass705.28
IUPAC Name2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCc1cc(=O)[nH]c2cc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc3ccc4c(C)cc(=O)[nH]c4c3)CC(=O)O)CC(=O)O)ccc12
InChIInChI=1S/C34H39N7O10/c1-20-11-28(42)37-26-13-22(3-5-24(20)26)35-30(44)15-40(18-33(48)49)9-7-39(17-32(46)47)8-10-41(19-34(50)51)16-31(45)36-23-4-6-25-21(2)12-29(43)38-27(25)14-23/h3-6,11-14H,7-10,15-19H2,1-2H3,(H,35,44)(H,36,45)(H,37,42)(H,38,43)(H,46,47)(H,48,49)(H,50,51)
InChIKeyNFRWQIQZNGSFNX-UHFFFAOYSA-N
XLogP0.72
TPSA245.54 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.73
LogP ≤ 50.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[4-[[4-(diethylamino)phenyl]methyl]-2-oxo-1H-quinolin-7-yl]amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 102404012
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 10715191
2-[2-[carboxymethyl-[2-[[2-[[3-(2,5-dioxopyrrol-1-yl)propanoylamino]methylamino]-2-oxoethyl]-(formyloxymethyl)amino]ethyl]amino]ethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]ethyl]amino]acetic acid
CID 155759731
2-[2-[7-[2-[carboxymethyl-[2-[2-[3-(2,5-dioxocyclopent-3-en-1-yl)propanoyl]hydrazinyl]-2-oxoethyl]amino]ethyl]-1,4,7-oxadiazonan-4-yl]ethyl-[2-[(5-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]acetic acid
CID 59859527
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107425853
2-[bis[2-[carboxymethyl-[2-oxo-2-[(2-oxochromen-6-yl)amino]ethyl]amino]ethyl]amino]acetic acid
CID 102234883
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326677
(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
CID 126418132
2-[bis[2-[carboxymethyl-[2-oxo-2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylamino)ethyl]amino]ethyl]amino]acetic acid
CID 11847760
2-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-[(4-methyl-2-methylidene-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 58462482

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid (CID 101390689) is 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid is Cc1cc(=O)[nH]c2cc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc3ccc4c(C)cc(=O)[nH]c4c3)CC(=O)O)CC(=O)O)ccc12.
What is the InChIKey of 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid?
The InChIKey is NFRWQIQZNGSFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O10/c1-20-11-28(42)37-26-13-22(3-5-24(20)26)35-30(44)15-40(18-33(48)49)9-7-39(17-32(46)47)8-10-41(19-34(50)51)16-31(45)36-23-4-6-25-21(2)12-29(43)38-27(25)14-23/h3-6,11-14H,7-10,15-19H2,1-2H3,(H,35,44)(H,36,45)(H,37,42)(H,38,43)(H,46,47)(H,48,49)(H,50,51).
What are the key properties of 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid?
2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid has a molecular weight of 705.73 g/mol, XLogP of 0.72, 18 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 101390689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).