1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea

C26H32N4O4 — CID 58294900

IUPAC1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea
SMILESCOc1cc2ncn(Cc3ccccc3)c(=O)c2cc1OC1CCC(N(C)C(=O)N(C)C)CC1
InChIInChI=1S/C26H32N4O4/c1-28(2)26(32)29(3)19-10-12-20(13-11-19)34-24-14-21-22(15-23(24)33-4)27-17-30(25(21)31)16-18-8-6-5-7-9-18/h5-9,14-15,17,19-20H,10-13,16H2,1-4H3
InChIKeyCYZONAWTIYSVPL-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.76
Rot. Bonds6

About 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea

1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea (PubChem CID 58294900) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea
PubChem CID58294900
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea
SMILESCOc1cc2ncn(Cc3ccccc3)c(=O)c2cc1OC1CCC(N(C)C(=O)N(C)C)CC1
InChIInChI=1S/C26H32N4O4/c1-28(2)26(32)29(3)19-10-12-20(13-11-19)34-24-14-21-22(15-23(24)33-4)27-17-30(25(21)31)16-18-8-6-5-7-9-18/h5-9,14-15,17,19-20H,10-13,16H2,1-4H3
InChIKeyCYZONAWTIYSVPL-UHFFFAOYSA-N
XLogP3.76
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea with MolForge

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Related Compounds

tert-butyl N-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-N-methylcarbamate
CID 58294907
3-benzyl-6,7-bis(oxan-3-yloxy)quinazolin-4-one
CID 58001821
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 7749360
3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one
CID 58896663
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
CID 39035249
[3-benzyl-7-(2-methoxyethoxy)-4-oxoquinazolin-6-yl] acetate
CID 58896728
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 118722441
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55522180
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea?
The IUPAC name of 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea (CID 58294900) is 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea is COc1cc2ncn(Cc3ccccc3)c(=O)c2cc1OC1CCC(N(C)C(=O)N(C)C)CC1.
What is the InChIKey of 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea?
The InChIKey is CYZONAWTIYSVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-28(2)26(32)29(3)19-10-12-20(13-11-19)34-24-14-21-22(15-23(24)33-4)27-17-30(25(21)31)16-18-8-6-5-7-9-18/h5-9,14-15,17,19-20H,10-13,16H2,1-4H3.
What are the key properties of 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea?
1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea has a molecular weight of 464.57 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea is sourced from PubChem (CID 58294900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).