2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid

C16H17ClN2O4 — CID 56902551

IUPAC2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
SMILESCn1c(C(=O)N2CCOCC2CC(=O)O)cc2cccc(Cl)c21
InChIInChI=1S/C16H17ClN2O4/c1-18-13(7-10-3-2-4-12(17)15(10)18)16(22)19-5-6-23-9-11(19)8-14(20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyHUUHWPYCYZLRNX-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.15
Rot. Bonds3

About 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid

2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 56902551) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
PubChem CID56902551
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
SMILESCn1c(C(=O)N2CCOCC2CC(=O)O)cc2cccc(Cl)c21
InChIInChI=1S/C16H17ClN2O4/c1-18-13(7-10-3-2-4-12(17)15(10)18)16(22)19-5-6-23-9-11(19)8-14(20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyHUUHWPYCYZLRNX-UHFFFAOYSA-N
XLogP2.15
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
CID 114040095
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
CID 156607520

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid (CID 56902551) is 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid is Cn1c(C(=O)N2CCOCC2CC(=O)O)cc2cccc(Cl)c21.
What is the InChIKey of 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is HUUHWPYCYZLRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-18-13(7-10-3-2-4-12(17)15(10)18)16(22)19-5-6-23-9-11(19)8-14(20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21).
What are the key properties of 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 336.78 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 56902551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).