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

C19H17N5O3 — CID 44968258

IUPACethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3ncnc(NCc4ncc[nH]4)c3c2)o1
InChIInChI=1S/C19H17N5O3/c1-2-26-19(25)16-6-5-15(27-16)12-3-4-14-13(9-12)18(24-11-23-14)22-10-17-20-7-8-21-17/h3-9,11H,2,10H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyKTZIEFZENLKSFR-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.40
Rot. Bonds6

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

ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate (PubChem CID 44968258) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate
PubChem CID44968258
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Nameethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3ncnc(NCc4ncc[nH]4)c3c2)o1
InChIInChI=1S/C19H17N5O3/c1-2-26-19(25)16-6-5-15(27-16)12-3-4-14-13(9-12)18(24-11-23-14)22-10-17-20-7-8-21-17/h3-9,11H,2,10H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyKTZIEFZENLKSFR-UHFFFAOYSA-N
XLogP3.40
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate (CID 44968258) is ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate is CCOC(=O)c1ccc(-c2ccc3ncnc(NCc4ncc[nH]4)c3c2)o1.
What is the InChIKey of ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate?
The InChIKey is KTZIEFZENLKSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-2-26-19(25)16-6-5-15(27-16)12-3-4-14-13(9-12)18(24-11-23-14)22-10-17-20-7-8-21-17/h3-9,11H,2,10H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate?
ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate has a molecular weight of 363.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(1H-imidazol-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate is sourced from PubChem (CID 44968258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).