ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate

C20H19N5O3 — CID 44968250

IUPACethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1
InChIInChI=1S/C20H19N5O3/c1-2-27-20(26)18-6-5-17(28-18)13-3-4-16-15(9-13)19(25-12-24-16)22-8-7-14-10-21-11-23-14/h3-6,9-12H,2,7-8H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyVRBMNFRNSUMVDR-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.44
Rot. Bonds7

About ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate

ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate (PubChem CID 44968250) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate
PubChem CID44968250
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Nameethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1
InChIInChI=1S/C20H19N5O3/c1-2-27-20(26)18-6-5-17(28-18)13-3-4-16-15(9-13)19(25-12-24-16)22-8-7-14-10-21-11-23-14/h3-6,9-12H,2,7-8H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyVRBMNFRNSUMVDR-UHFFFAOYSA-N
XLogP3.44
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate with MolForge

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Related Compounds

(5-(4-(((5-Methylfuran-2-yl)methyl)amino)quinazolin-6-yl)furan-2-yl)methanol
CID 44968231
Ethyl 5-(4-(thiophen-2-ylmethylamino)quinazolin-6-yl)furan-2-carboxylate
CID 44968199
Ethyl 5-(4-((5-methylfuran-2-yl)methylamino)quinazolin-6-yl)furan-2-carboxylate
CID 44968221
5-(4-((5-Methylfuran-2-yl)methylamino)quinazolin-6-yl)furan-2-carboxylic acid
CID 46916169
N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide
CID 46916190
furan-2-yl-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 145970860
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 44223937
[5-[4-[(5-Methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol;2,2,2-trifluoroacetic acid
CID 56643210
5-[4-[Methyl-[(3-methyl-2-thiophenyl)methyl]amino]-6-quinazolinyl]-2-furancarboxylic acid ethyl ester
CID 44968227
[5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol
CID 44968246
N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine
CID 44968248
6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine
CID 44968252

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate (CID 44968250) is ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate is CCOC(=O)c1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1.
What is the InChIKey of ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate?
The InChIKey is VRBMNFRNSUMVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-2-27-20(26)18-6-5-17(28-18)13-3-4-16-15(9-13)19(25-12-24-16)22-8-7-14-10-21-11-23-14/h3-6,9-12H,2,7-8H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate?
ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate is sourced from PubChem (CID 44968250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).