ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate

C15H14N4O2 — CID 168990724

IUPACethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(Nc2ncc3ccccc3n2)c[nH]1
InChIInChI=1S/C15H14N4O2/c1-2-21-14(20)13-7-11(9-16-13)18-15-17-8-10-5-3-4-6-12(10)19-15/h3-9,16H,2H2,1H3,(H,17,18,19)
InChIKeyLGPRMUWLWGUASC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.88
Rot. Bonds4

About ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate

ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate (PubChem CID 168990724) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate
PubChem CID168990724
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Nameethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(Nc2ncc3ccccc3n2)c[nH]1
InChIInChI=1S/C15H14N4O2/c1-2-21-14(20)13-7-11(9-16-13)18-15-17-8-10-5-3-4-6-12(10)19-15/h3-9,16H,2H2,1H3,(H,17,18,19)
InChIKeyLGPRMUWLWGUASC-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
CID 71869717
ethyl 2-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 140987853
ethyl quinoxaline-2-carboxylate
CID 582701
N-(2-ethylphenyl)quinazolin-2-amine
CID 23056755
2-anilino-N-quinazolin-2-ylacetamide
CID 174985574
ethyl quinoxaline-2-carboxylate;1H-pyrrole
CID 175129436
ethyl 4-(pyridine-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 168911940
ethyl 4-(benzotriazol-1-yl)-1H-pyrrole-2-carboxylate
CID 11043346
ethyl 2-anilino-4-(4-fluorophenyl)pyrimidine-5-carboxylate
CID 12690152
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
CID 4018923
N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine
CID 91195722

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate (CID 168990724) is ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(Nc2ncc3ccccc3n2)c[nH]1.
What is the InChIKey of ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate?
The InChIKey is LGPRMUWLWGUASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-21-14(20)13-7-11(9-16-13)18-15-17-8-10-5-3-4-6-12(10)19-15/h3-9,16H,2H2,1H3,(H,17,18,19).
What are the key properties of ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate?
ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 168990724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).