2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid

C18H18N2O4 — CID 167900966

IUPAC2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)N(C(=O)c1cnc(C3CC3)o1)CCC2
InChIInChI=1S/C18H18N2O4/c21-16(22)9-11-3-4-12-2-1-7-20(14(12)8-11)18(23)15-10-19-17(24-15)13-5-6-13/h3-4,8,10,13H,1-2,5-7,9H2,(H,21,22)
InChIKeyDUZCFPWPNVPXRU-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.77
Rot. Bonds4

About 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid

2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid (PubChem CID 167900966) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid
PubChem CID167900966
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)N(C(=O)c1cnc(C3CC3)o1)CCC2
InChIInChI=1S/C18H18N2O4/c21-16(22)9-11-3-4-12-2-1-7-20(14(12)8-11)18(23)15-10-19-17(24-15)13-5-6-13/h3-4,8,10,13H,1-2,5-7,9H2,(H,21,22)
InChIKeyDUZCFPWPNVPXRU-UHFFFAOYSA-N
XLogP2.77
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
CID 166313891
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
CID 166313890
2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
CID 136552165
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110749680
2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid
CID 166305840
4-[[(2-cyclopropyl-1,3-oxazol-5-yl)methylamino]methyl]benzoic acid
CID 122035175
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 75426751
(3aR,8aS)-1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole-3a-carboxylic acid
CID 166271036
[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82109788
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid (CID 167900966) is 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid is O=C(O)Cc1ccc2c(c1)N(C(=O)c1cnc(C3CC3)o1)CCC2.
What is the InChIKey of 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid?
The InChIKey is DUZCFPWPNVPXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16(22)9-11-3-4-12-2-1-7-20(14(12)8-11)18(23)15-10-19-17(24-15)13-5-6-13/h3-4,8,10,13H,1-2,5-7,9H2,(H,21,22).
What are the key properties of 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid?
2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid has a molecular weight of 326.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid is sourced from PubChem (CID 167900966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).