ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate

C18H23N3O2 — CID 45107020

IUPACethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(N(C)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-3-23-18(22)16-19-15-12-8-7-11-14(15)17(20-16)21(2)13-9-5-4-6-10-13/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeySJQTXGAASNMKMT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.58
Rot. Bonds4

About ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate

ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate (PubChem CID 45107020) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate
PubChem CID45107020
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(N(C)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-3-23-18(22)16-19-15-12-8-7-11-14(15)17(20-16)21(2)13-9-5-4-6-10-13/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeySJQTXGAASNMKMT-UHFFFAOYSA-N
XLogP3.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate (CID 45107020) is ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate is CCOC(=O)c1nc(N(C)C2CCCCC2)c2ccccc2n1.
What is the InChIKey of ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate?
The InChIKey is SJQTXGAASNMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-18(22)16-19-15-12-8-7-11-14(15)17(20-16)21(2)13-9-5-4-6-10-13/h7-8,11-13H,3-6,9-10H2,1-2H3.
What are the key properties of ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate?
ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate is sourced from PubChem (CID 45107020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).