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

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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).