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

C13H19N3O2 — CID 66284944

IUPACmethyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
SMILESCCCNc1nc(C(=O)OC)nc2c1CCCC2
InChIInChI=1S/C13H19N3O2/c1-3-8-14-11-9-6-4-5-7-10(9)15-12(16-11)13(17)18-2/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyGAABISMAVCZKFW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.96
Rot. Bonds4

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

methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate (PubChem CID 66284944) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
PubChem CID66284944
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
SMILESCCCNc1nc(C(=O)OC)nc2c1CCCC2
InChIInChI=1S/C13H19N3O2/c1-3-8-14-11-9-6-4-5-7-10(9)15-12(16-11)13(17)18-2/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyGAABISMAVCZKFW-UHFFFAOYSA-N
XLogP1.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The IUPAC name of methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate (CID 66284944) is methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate.
What is the SMILES notation for methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The canonical SMILES for methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate is CCCNc1nc(C(=O)OC)nc2c1CCCC2.
What is the InChIKey of methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The InChIKey is GAABISMAVCZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-8-14-11-9-6-4-5-7-10(9)15-12(16-11)13(17)18-2/h3-8H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(propylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate is sourced from PubChem (CID 66284944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).