1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

C22H26N4O3 — CID 118754407

IUPAC1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc2nc(N3CCCC3C(=O)NCc3ccc(C)o3)nc(C)c2c1
InChIInChI=1S/C22H26N4O3/c1-4-28-16-9-10-19-18(12-16)15(3)24-22(25-19)26-11-5-6-20(26)21(27)23-13-17-8-7-14(2)29-17/h7-10,12,20H,4-6,11,13H2,1-3H3,(H,23,27)
InChIKeyRMZHXGVZMGNKFB-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.52
Rot. Bonds6

About 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 118754407) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID118754407
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc2nc(N3CCCC3C(=O)NCc3ccc(C)o3)nc(C)c2c1
InChIInChI=1S/C22H26N4O3/c1-4-28-16-9-10-19-18(12-16)15(3)24-22(25-19)26-11-5-6-20(26)21(27)23-13-17-8-7-14(2)29-17/h7-10,12,20H,4-6,11,13H2,1-3H3,(H,23,27)
InChIKeyRMZHXGVZMGNKFB-UHFFFAOYSA-N
XLogP3.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Prazosin
CID 4893
Prazosin Hydrochloride
CID 68546
Quinoxaline, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)decahydro-, (4aR,8aS)-rel-
CID 132266
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14069003
N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
CID 2910633
CID 2910633
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
[(4aS,8aR)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone
CID 9824384
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)phenoxy)acetamide
CID 16654984
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethylamino)methyl)phenoxy)acetamide
CID 24739307
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethyl(methyl)amino)methyl)phenoxy)acetamide
CID 24739646
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-(dimethylamino)ethyl)phenoxy)acetamide
CID 24739648

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (CID 118754407) is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide is CCOc1ccc2nc(N3CCCC3C(=O)NCc3ccc(C)o3)nc(C)c2c1.
What is the InChIKey of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RMZHXGVZMGNKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-28-16-9-10-19-18(12-16)15(3)24-22(25-19)26-11-5-6-20(26)21(27)23-13-17-8-7-14(2)29-17/h7-10,12,20H,4-6,11,13H2,1-3H3,(H,23,27).
What are the key properties of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118754407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).