N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

C23H29N5O5 — CID 167928948

IUPACN-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn(C2CCOCC2)c1C
InChIInChI=1S/C23H29N5O5/c1-5-27(23(30)17-12-24-28(14(17)2)15-6-8-33-9-7-15)13-21-25-18-11-20(32-4)19(31-3)10-16(18)22(29)26-21/h10-12,15H,5-9,13H2,1-4H3,(H,25,26,29)
InChIKeyUCHJLYITUIIGOY-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.46
Rot. Bonds7

About N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 167928948) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
PubChem CID167928948
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC NameN-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn(C2CCOCC2)c1C
InChIInChI=1S/C23H29N5O5/c1-5-27(23(30)17-12-24-28(14(17)2)15-6-8-33-9-7-15)13-21-25-18-11-20(32-4)19(31-3)10-16(18)22(29)26-21/h10-12,15H,5-9,13H2,1-4H3,(H,25,26,29)
InChIKeyUCHJLYITUIIGOY-UHFFFAOYSA-N
XLogP2.46
TPSA111.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 167928948) is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn(C2CCOCC2)c1C.
What is the InChIKey of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is UCHJLYITUIIGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-5-27(23(30)17-12-24-28(14(17)2)15-6-8-33-9-7-15)13-21-25-18-11-20(32-4)19(31-3)10-16(18)22(29)26-21/h10-12,15H,5-9,13H2,1-4H3,(H,25,26,29).
What are the key properties of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 167928948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).