(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C23H30N6O2 — CID 26281212

IUPAC(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)CCc3cnn(C)c3)nc(C)c2c1
InChIInChI=1S/C23H30N6O2/c1-5-31-18-8-9-20-19(13-18)16(2)25-23(26-20)29-11-6-7-21(29)22(30)27(3)12-10-17-14-24-28(4)15-17/h8-9,13-15,21H,5-7,10-12H2,1-4H3/t21-/m1/s1
InChIKeyRLFHJZOTBUHKOX-OAQYLSRUSA-N
MW422.53 g/mol
LogP2.74
Rot. Bonds7

About (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 26281212) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID26281212
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)CCc3cnn(C)c3)nc(C)c2c1
InChIInChI=1S/C23H30N6O2/c1-5-31-18-8-9-20-19(13-18)16(2)25-23(26-20)29-11-6-7-21(29)22(30)27(3)12-10-17-14-24-28(4)15-17/h8-9,13-15,21H,5-7,10-12H2,1-4H3/t21-/m1/s1
InChIKeyRLFHJZOTBUHKOX-OAQYLSRUSA-N
XLogP2.74
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 26281212) is (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide is CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)CCc3cnn(C)c3)nc(C)c2c1.
What is the InChIKey of (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is RLFHJZOTBUHKOX-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-5-31-18-8-9-20-19(13-18)16(2)25-23(26-20)29-11-6-7-21(29)22(30)27(3)12-10-17-14-24-28(4)15-17/h8-9,13-15,21H,5-7,10-12H2,1-4H3/t21-/m1/s1.
What are the key properties of (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 26281212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).