ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate

C15H16N4O2 — CID 21192699

IUPACethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate
SMILESCCOC(=O)n1cccc1C1N=C(N)c2ccccc2N1
InChIInChI=1S/C15H16N4O2/c1-2-21-15(20)19-9-5-8-12(19)14-17-11-7-4-3-6-10(11)13(16)18-14/h3-9,14,17H,2H2,1H3,(H2,16,18)
InChIKeyPQJLAHMCHXZENU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.32
Rot. Bonds2

About ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate

ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate (PubChem CID 21192699) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate
PubChem CID21192699
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate
SMILESCCOC(=O)n1cccc1C1N=C(N)c2ccccc2N1
InChIInChI=1S/C15H16N4O2/c1-2-21-15(20)19-9-5-8-12(19)14-17-11-7-4-3-6-10(11)13(16)18-14/h3-9,14,17H,2H2,1H3,(H2,16,18)
InChIKeyPQJLAHMCHXZENU-UHFFFAOYSA-N
XLogP2.32
TPSA81.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methylpyrrole-1-carboxylate
CID 89052095
2-isoindol-2-ium-1-yl-1,2-dihydroquinazolin-4-amine
CID 147909432
ethyl 2-(4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl)acetate
CID 91273270
ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate
CID 10923114
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382
ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate
CID 135536636
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaene-9-carboxylate
CID 67472411
diethyl imidazole-1,2-dicarboxylate
CID 23185165
ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate
CID 71194784
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate
CID 71574107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate?
The IUPAC name of ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate (CID 21192699) is ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate?
The canonical SMILES for ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate is CCOC(=O)n1cccc1C1N=C(N)c2ccccc2N1.
What is the InChIKey of ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate?
The InChIKey is PQJLAHMCHXZENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-21-15(20)19-9-5-8-12(19)14-17-11-7-4-3-6-10(11)13(16)18-14/h3-9,14,17H,2H2,1H3,(H2,16,18).
What are the key properties of ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate?
ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-1,2-dihydroquinazolin-2-yl)pyrrole-1-carboxylate is sourced from PubChem (CID 21192699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).