3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

C20H26N4O2 — CID 56703648

IUPAC3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1ccc2c(C)nc(N3CCC4(CCNC(=O)CC4)CC3)nc2c1
InChIInChI=1S/C20H26N4O2/c1-14-16-4-3-15(26-2)13-17(16)23-19(22-14)24-11-8-20(9-12-24)6-5-18(25)21-10-7-20/h3-4,13H,5-12H2,1-2H3,(H,21,25)
InChIKeyUAXCTYDRAJQRLA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.83
Rot. Bonds2

About 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56703648) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56703648
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1ccc2c(C)nc(N3CCC4(CCNC(=O)CC4)CC3)nc2c1
InChIInChI=1S/C20H26N4O2/c1-14-16-4-3-15(26-2)13-17(16)23-19(22-14)24-11-8-20(9-12-24)6-5-18(25)21-10-7-20/h3-4,13H,5-12H2,1-2H3,(H,21,25)
InChIKeyUAXCTYDRAJQRLA-UHFFFAOYSA-N
XLogP2.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56703648) is 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is COc1ccc2c(C)nc(N3CCC4(CCNC(=O)CC4)CC3)nc2c1.
What is the InChIKey of 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is UAXCTYDRAJQRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-16-4-3-15(26-2)13-17(16)23-19(22-14)24-11-8-20(9-12-24)6-5-18(25)21-10-7-20/h3-4,13H,5-12H2,1-2H3,(H,21,25).
What are the key properties of 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 354.45 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56703648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).