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

C23H32N6O4 — CID 18470634

IUPAC[4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2cc1OC1CCC1
InChIInChI=1S/C23H32N6O4/c1-31-19-15-18-17(14-20(19)33-16-4-2-5-16)21(24)26-22(25-18)27-6-3-7-28(9-8-27)23(30)29-10-12-32-13-11-29/h14-16H,2-13H2,1H3,(H2,24,25,26)
InChIKeyYQMGNSCDHWLMSQ-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.12
Rot. Bonds4

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

[4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (PubChem CID 18470634) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
PubChem CID18470634
Molecular FormulaC23H32N6O4
Molecular Weight456.55 g/mol
Exact Mass456.25
IUPAC Name[4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2cc1OC1CCC1
InChIInChI=1S/C23H32N6O4/c1-31-19-15-18-17(14-20(19)33-16-4-2-5-16)21(24)26-22(25-18)27-6-3-7-28(9-8-27)23(30)29-10-12-32-13-11-29/h14-16H,2-13H2,1H3,(H2,24,25,26)
InChIKeyYQMGNSCDHWLMSQ-UHFFFAOYSA-N
XLogP2.12
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (CID 18470634) is [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2cc1OC1CCC1.
What is the InChIKey of [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The InChIKey is YQMGNSCDHWLMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-31-19-15-18-17(14-20(19)33-16-4-2-5-16)21(24)26-22(25-18)27-6-3-7-28(9-8-27)23(30)29-10-12-32-13-11-29/h14-16H,2-13H2,1H3,(H2,24,25,26).
What are the key properties of [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
[4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone has a molecular weight of 456.55 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 18470634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).