2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid

C19H19ClN2O3S — CID 120520741

IUPAC2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O3S/c20-12-3-4-16-14(7-12)15(9-17(21-16)11-1-2-11)19(25)22-5-6-26-10-13(22)8-18(23)24/h3-4,7,9,11,13H,1-2,5-6,8,10H2,(H,23,24)
InChIKeyDLZHFQNOPPTCKD-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.80
Rot. Bonds4

About 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 120520741) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID120520741
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O3S/c20-12-3-4-16-14(7-12)15(9-17(21-16)11-1-2-11)19(25)22-5-6-26-10-13(22)8-18(23)24/h3-4,7,9,11,13H,1-2,5-6,8,10H2,(H,23,24)
InChIKeyDLZHFQNOPPTCKD-UHFFFAOYSA-N
XLogP3.80
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cyclopropyl-6-methylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520610
2-[4-(4-chloro-2-fluorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445815
2-[4-(2-chloro-5-hydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 106500352
(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120572778
(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129397510
2-[4-(3,4-dichlorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445224
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443337
2-[4-(6-chloropyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444450
(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119579132
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208
2-[4-(4-amino-2-fluorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 107794602

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid (CID 120520741) is 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is DLZHFQNOPPTCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c20-12-3-4-16-14(7-12)15(9-17(21-16)11-1-2-11)19(25)22-5-6-26-10-13(22)8-18(23)24/h3-4,7,9,11,13H,1-2,5-6,8,10H2,(H,23,24).
What are the key properties of 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 390.89 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 120520741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).