4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid

C19H25N3O4 — CID 66746559

IUPAC4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)(C)C(=O)NC(C)C)c2c(N)c1C(=O)O
InChIInChI=1S/C19H25N3O4/c1-10(2)21-18(25)19(4,5)9-26-13-8-6-7-12-15(13)16(20)14(17(23)24)11(3)22-12/h6-8,10H,9H2,1-5H3,(H2,20,22)(H,21,25)(H,23,24)
InChIKeyRHXLOOCFQPJWBW-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.75
Rot. Bonds6

About 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid

4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid (PubChem CID 66746559) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid
PubChem CID66746559
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)(C)C(=O)NC(C)C)c2c(N)c1C(=O)O
InChIInChI=1S/C19H25N3O4/c1-10(2)21-18(25)19(4,5)9-26-13-8-6-7-12-15(13)16(20)14(17(23)24)11(3)22-12/h6-8,10H,9H2,1-5H3,(H2,20,22)(H,21,25)(H,23,24)
InChIKeyRHXLOOCFQPJWBW-UHFFFAOYSA-N
XLogP2.75
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid (CID 66746559) is 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid is Cc1nc2cccc(OCC(C)(C)C(=O)NC(C)C)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid?
The InChIKey is RHXLOOCFQPJWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-10(2)21-18(25)19(4,5)9-26-13-8-6-7-12-15(13)16(20)14(17(23)24)11(3)22-12/h6-8,10H,9H2,1-5H3,(H2,20,22)(H,21,25)(H,23,24).
What are the key properties of 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid?
4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 66746559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).