2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid

C20H18N4O5 — CID 69463704

IUPAC2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
SMILESCCCOc1cc(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc1C(=O)O
InChIInChI=1S/C20H18N4O5/c1-2-9-29-17-11-13(4-5-14(17)19(26)27)23-20(28)24-18(25)12-3-6-15-16(10-12)22-8-7-21-15/h3-8,10-11H,2,9H2,1H3,(H,26,27)(H2,23,24,25,28)
InChIKeyLXARCNXSVPMSIJ-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.08
Rot. Bonds6

About 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid

2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid (PubChem CID 69463704) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
PubChem CID69463704
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Name2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
SMILESCCCOc1cc(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc1C(=O)O
InChIInChI=1S/C20H18N4O5/c1-2-9-29-17-11-13(4-5-14(17)19(26)27)23-20(28)24-18(25)12-3-6-15-16(10-12)22-8-7-21-15/h3-8,10-11H,2,9H2,1H3,(H,26,27)(H2,23,24,25,28)
InChIKeyLXARCNXSVPMSIJ-UHFFFAOYSA-N
XLogP3.08
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate
CID 22647655
2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
CID 69461730
propan-2-yl 2-chloro-5-(quinoxaline-6-carbonylcarbamoylamino)benzoate
CID 10179937
N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 135486159
N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 10272063
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722
2-pentoxyterephthalic acid
CID 86182031
methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate
CID 3934673
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
2-octadecoxyterephthalic acid
CID 142668937
[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate
CID 7851101
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid?
The IUPAC name of 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid (CID 69463704) is 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid is CCCOc1cc(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc1C(=O)O.
What is the InChIKey of 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid?
The InChIKey is LXARCNXSVPMSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-2-9-29-17-11-13(4-5-14(17)19(26)27)23-20(28)24-18(25)12-3-6-15-16(10-12)22-8-7-21-15/h3-8,10-11H,2,9H2,1H3,(H,26,27)(H2,23,24,25,28).
What are the key properties of 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid?
2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid has a molecular weight of 394.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid is sourced from PubChem (CID 69463704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).