ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate

C21H28N4O4 — CID 139338434

IUPACethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1
InChIInChI=1S/C21H28N4O4/c1-2-28-21(26)24-15-3-5-17(6-4-15)29-20-12-16(25-7-9-27-10-8-25)11-19-18(20)13-22-14-23-19/h11-15,17H,2-10H2,1H3,(H,24,26)
InChIKeyLTIKYPQVLSJJNA-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.90
Rot. Bonds5

About ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate

ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate (PubChem CID 139338434) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate
PubChem CID139338434
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Nameethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1
InChIInChI=1S/C21H28N4O4/c1-2-28-21(26)24-15-3-5-17(6-4-15)29-20-12-16(25-7-9-27-10-8-25)11-19-18(20)13-22-14-23-19/h11-15,17H,2-10H2,1H3,(H,24,26)
InChIKeyLTIKYPQVLSJJNA-UHFFFAOYSA-N
XLogP2.90
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate?
The IUPAC name of ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate (CID 139338434) is ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate?
The canonical SMILES for ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate is CCOC(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.
What is the InChIKey of ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate?
The InChIKey is LTIKYPQVLSJJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-2-28-21(26)24-15-3-5-17(6-4-15)29-20-12-16(25-7-9-27-10-8-25)11-19-18(20)13-22-14-23-19/h11-15,17H,2-10H2,1H3,(H,24,26).
What are the key properties of ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate?
ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate has a molecular weight of 400.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate is sourced from PubChem (CID 139338434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).