methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate

C14H17N3O2 — CID 114788545

IUPACmethyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
SMILESCOC(=O)C(Nc1ncc2ccccc2n1)C(C)C
InChIInChI=1S/C14H17N3O2/c1-9(2)12(13(18)19-3)17-14-15-8-10-6-4-5-7-11(10)16-14/h4-9,12H,1-3H3,(H,15,16,17)
InChIKeyOKDIALOOYFEMPL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.24
Rot. Bonds4

About methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate

methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate (PubChem CID 114788545) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
PubChem CID114788545
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
SMILESCOC(=O)C(Nc1ncc2ccccc2n1)C(C)C
InChIInChI=1S/C14H17N3O2/c1-9(2)12(13(18)19-3)17-14-15-8-10-6-4-5-7-11(10)16-14/h4-9,12H,1-3H3,(H,15,16,17)
InChIKeyOKDIALOOYFEMPL-UHFFFAOYSA-N
XLogP2.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine
CID 106154707
N-(4-bromopentan-2-yl)quinazolin-2-amine
CID 114789890
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
CID 114788884
2-(quinazolin-2-ylamino)butanedioic acid
CID 114788634
methyl (2S)-2-[[5-(2-fluorophenyl)-1,2,4-triazin-3-yl]amino]-3-methylbutanoate
CID 25384153
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate
CID 80811711
2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid
CID 114788534
3-methyl-3-(quinazolin-2-ylamino)butanamide
CID 106097327
N-(2-chloro-3-methoxypropyl)quinazolin-2-amine
CID 114789830
N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate (CID 114788545) is methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate is COC(=O)C(Nc1ncc2ccccc2n1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate?
The InChIKey is OKDIALOOYFEMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)12(13(18)19-3)17-14-15-8-10-6-4-5-7-11(10)16-14/h4-9,12H,1-3H3,(H,15,16,17).
What are the key properties of methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate?
methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate has a molecular weight of 259.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate is sourced from PubChem (CID 114788545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).