methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate

C14H18N4O2 — CID 80798366

IUPACmethyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
SMILESCCNc1nc(NCCC(=O)OC)c2ccccc2n1
InChIInChI=1S/C14H18N4O2/c1-3-15-14-17-11-7-5-4-6-10(11)13(18-14)16-9-8-12(19)20-2/h4-7H,3,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyBFGQTXNHUKTVJG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.04
Rot. Bonds6

About methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate

methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate (PubChem CID 80798366) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
PubChem CID80798366
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
SMILESCCNc1nc(NCCC(=O)OC)c2ccccc2n1
InChIInChI=1S/C14H18N4O2/c1-3-15-14-17-11-7-5-4-6-10(11)13(18-14)16-9-8-12(19)20-2/h4-7H,3,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyBFGQTXNHUKTVJG-UHFFFAOYSA-N
XLogP2.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
CID 80797515
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate (CID 80798366) is methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate is CCNc1nc(NCCC(=O)OC)c2ccccc2n1.
What is the InChIKey of methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate?
The InChIKey is BFGQTXNHUKTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-15-14-17-11-7-5-4-6-10(11)13(18-14)16-9-8-12(19)20-2/h4-7H,3,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate?
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate has a molecular weight of 274.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate is sourced from PubChem (CID 80798366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).