methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate

C19H25N3O3 — CID 70160275

IUPACmethyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate
SMILESCCCCC(NC(=O)C(C)Nc1cnc2ccccc2c1)C(=O)OC
InChIInChI=1S/C19H25N3O3/c1-4-5-9-17(19(24)25-3)22-18(23)13(2)21-15-11-14-8-6-7-10-16(14)20-12-15/h6-8,10-13,17,21H,4-5,9H2,1-3H3,(H,22,23)
InChIKeyYVRLBNUESVWEPK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.88
Rot. Bonds8

About methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate

methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate (PubChem CID 70160275) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate
PubChem CID70160275
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate
SMILESCCCCC(NC(=O)C(C)Nc1cnc2ccccc2c1)C(=O)OC
InChIInChI=1S/C19H25N3O3/c1-4-5-9-17(19(24)25-3)22-18(23)13(2)21-15-11-14-8-6-7-10-16(14)20-12-15/h6-8,10-13,17,21H,4-5,9H2,1-3H3,(H,22,23)
InChIKeyYVRLBNUESVWEPK-UHFFFAOYSA-N
XLogP2.88
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(3,5-difluoroanilino)propanoylamino]hexanoate
CID 70159557
N-heptan-3-ylquinolin-3-amine
CID 63947322
methyl 2-quinolin-3-yloxyhexanoate
CID 107386801
(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
CID 107566857
N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide
CID 142680437
methyl (2S,3S)-2-[[(2S)-2-(3,4-dichloroanilino)propanoyl]amino]-3-methylpentanoate;methyl 2-[[(2S)-2-(3,4-dichloroanilino)propanoyl]amino]pentanoate
CID 67579943
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
N-(1-ethoxypropan-2-yl)quinolin-3-amine
CID 104695232
methyl (2S)-2-(2-anilinopropanoylamino)-3-phenylpropanoate
CID 45379970
methyl N-quinolin-3-ylcarbamate
CID 19697860
4-methylsulfanyl-2-(propanoylamino)-N-quinolin-3-ylbutanamide
CID 60523118
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate?
The IUPAC name of methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate (CID 70160275) is methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate.
What is the SMILES notation for methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate?
The canonical SMILES for methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate is CCCCC(NC(=O)C(C)Nc1cnc2ccccc2c1)C(=O)OC.
What is the InChIKey of methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate?
The InChIKey is YVRLBNUESVWEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-5-9-17(19(24)25-3)22-18(23)13(2)21-15-11-14-8-6-7-10-16(14)20-12-15/h6-8,10-13,17,21H,4-5,9H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate?
methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate has a molecular weight of 343.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate is sourced from PubChem (CID 70160275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).