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

C18H25N5O4 — CID 135973687

IUPAC4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCOc1cc2nc(CN3CCN(C(=O)N(C)C)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C18H25N5O4/c1-21(2)18(25)23-7-5-22(6-8-23)11-16-19-13-10-15(27-4)14(26-3)9-12(13)17(24)20-16/h9-10H,5-8,11H2,1-4H3,(H,19,20,24)
InChIKeyXSJHRPZCZAQWKN-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.74
Rot. Bonds4

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

4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 135973687) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID135973687
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCOc1cc2nc(CN3CCN(C(=O)N(C)C)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C18H25N5O4/c1-21(2)18(25)23-7-5-22(6-8-23)11-16-19-13-10-15(27-4)14(26-3)9-12(13)17(24)20-16/h9-10H,5-8,11H2,1-4H3,(H,19,20,24)
InChIKeyXSJHRPZCZAQWKN-UHFFFAOYSA-N
XLogP0.74
TPSA91.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079
4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 135939282
2-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135877359
N-cyclohexyl-4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 135938889
2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135899756
(2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 135952066
6,7-dimethoxy-2-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3H-quinazolin-4-one
CID 166224088
2-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135933558
6,7-dimethoxy-2-[[(3R,4R)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136826347
6,7-dimethoxy-2-[[(3S,4S)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136703844
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 135973687) is 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is COc1cc2nc(CN3CCN(C(=O)N(C)C)CC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is XSJHRPZCZAQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-21(2)18(25)23-7-5-22(6-8-23)11-16-19-13-10-15(27-4)14(26-3)9-12(13)17(24)20-16/h9-10H,5-8,11H2,1-4H3,(H,19,20,24).
What are the key properties of 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 135973687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).