[4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone

C24H34N6O5 — CID 18470658

IUPAC[4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2c(OC2CCC2)c1OC
InChIInChI=1S/C24H34N6O5/c1-32-18-15-17-19(21(20(18)33-2)35-16-5-3-6-16)22(25)27-23(26-17)28-7-4-8-29(10-9-28)24(31)30-11-13-34-14-12-30/h15-16H,3-14H2,1-2H3,(H2,25,26,27)
InChIKeyBHMPTYWMJGADFY-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.12
Rot. Bonds5

About [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone

[4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (PubChem CID 18470658) has the molecular formula C24H34N6O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
PubChem CID18470658
Molecular FormulaC24H34N6O5
Molecular Weight486.57 g/mol
Exact Mass486.26
IUPAC Name[4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2c(OC2CCC2)c1OC
InChIInChI=1S/C24H34N6O5/c1-32-18-15-17-19(21(20(18)33-2)35-16-5-3-6-16)22(25)27-23(26-17)28-7-4-8-29(10-9-28)24(31)30-11-13-34-14-12-30/h15-16H,3-14H2,1-2H3,(H2,25,26,27)
InChIKeyBHMPTYWMJGADFY-UHFFFAOYSA-N
XLogP2.12
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (CID 18470658) is [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2c(OC2CCC2)c1OC.
What is the InChIKey of [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The InChIKey is BHMPTYWMJGADFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O5/c1-32-18-15-17-19(21(20(18)33-2)35-16-5-3-6-16)22(25)27-23(26-17)28-7-4-8-29(10-9-28)24(31)30-11-13-34-14-12-30/h15-16H,3-14H2,1-2H3,(H2,25,26,27).
What are the key properties of [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
[4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone has a molecular weight of 486.57 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 18470658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).