methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate

C12H17N3O2 — CID 66284744

IUPACmethyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
SMILESCCNc1nc(C(=O)OC)nc2c1CCCC2
InChIInChI=1S/C12H17N3O2/c1-3-13-10-8-6-4-5-7-9(8)14-11(15-10)12(16)17-2/h3-7H2,1-2H3,(H,13,14,15)
InChIKeyZABDQZDJKRZJSF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.57
Rot. Bonds3

About methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate

methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate (PubChem CID 66284744) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
PubChem CID66284744
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
SMILESCCNc1nc(C(=O)OC)nc2c1CCCC2
InChIInChI=1S/C12H17N3O2/c1-3-13-10-8-6-4-5-7-9(8)14-11(15-10)12(16)17-2/h3-7H2,1-2H3,(H,13,14,15)
InChIKeyZABDQZDJKRZJSF-UHFFFAOYSA-N
XLogP1.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The IUPAC name of methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate (CID 66284744) is methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate.
What is the SMILES notation for methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The canonical SMILES for methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate is CCNc1nc(C(=O)OC)nc2c1CCCC2.
What is the InChIKey of methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The InChIKey is ZABDQZDJKRZJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-13-10-8-6-4-5-7-9(8)14-11(15-10)12(16)17-2/h3-7H2,1-2H3,(H,13,14,15).
What are the key properties of methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate is sourced from PubChem (CID 66284744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).