4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate

C32H33ClN4O8 — CID 175137040

IUPAC4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
SMILESNc1ccc(C(=O)O)c(O)c1.O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)OCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O5.C7H7NO3/c26-19-7-5-17(6-8-19)24(31)28-22(25(32)34-14-11-29-9-12-33-13-10-29)15-18-16-23(30)27-21-4-2-1-3-20(18)21;8-4-1-2-5(7(10)11)6(9)3-4/h1-8,16,22H,9-15H2,(H,27,30)(H,28,31);1-3,9H,8H2,(H,10,11)
InChIKeyPUHFGXNSKUCHRY-UHFFFAOYSA-N
MW637.09 g/mol
LogP3.07
Rot. Bonds9

About 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate

4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate (PubChem CID 175137040) has the molecular formula C32H33ClN4O8 and a molecular weight of 637.09 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate.

Molecular Properties

Compound Name4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
PubChem CID175137040
Molecular FormulaC32H33ClN4O8
Molecular Weight637.09 g/mol
Exact Mass636.20
IUPAC Name4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
SMILESNc1ccc(C(=O)O)c(O)c1.O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)OCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O5.C7H7NO3/c26-19-7-5-17(6-8-19)24(31)28-22(25(32)34-14-11-29-9-12-33-13-10-29)15-18-16-23(30)27-21-4-2-1-3-20(18)21;8-4-1-2-5(7(10)11)6(9)3-4/h1-8,16,22H,9-15H2,(H,27,30)(H,28,31);1-3,9H,8H2,(H,10,11)
InChIKeyPUHFGXNSKUCHRY-UHFFFAOYSA-N
XLogP3.07
TPSA184.28 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.09
LogP ≤ 53.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 86296442
butanedioic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 175356654
(E)-but-2-enedioic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035322
2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate;sulfuric acid
CID 118035223
[2-(2-morpholin-4-ylethoxy)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 86296443
2-piperidin-1-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035262
S-(2-morpholin-4-ylethyl) 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanethioate
CID 118043129
4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide
CID 118035009
cyclopropylmethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035160
2-methylsulfanylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035318
2-oxobutyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035210
2-(N-methylanilino)ethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035187

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate?
The IUPAC name of 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate (CID 175137040) is 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate.
What is the SMILES notation for 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate?
The canonical SMILES for 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate is Nc1ccc(C(=O)O)c(O)c1.O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)OCCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate?
The InChIKey is PUHFGXNSKUCHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O5.C7H7NO3/c26-19-7-5-17(6-8-19)24(31)28-22(25(32)34-14-11-29-9-12-33-13-10-29)15-18-16-23(30)27-21-4-2-1-3-20(18)21;8-4-1-2-5(7(10)11)6(9)3-4/h1-8,16,22H,9-15H2,(H,27,30)(H,28,31);1-3,9H,8H2,(H,10,11).
What are the key properties of 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate?
4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate has a molecular weight of 637.09 g/mol, XLogP of 3.07, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate is sourced from PubChem (CID 175137040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).