[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

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

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Launch Full Analysis

Related Compounds

[4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 18470658
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydron;chloride
CID 45108257
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrobromide;hydrochloride
CID 140517129
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(5S)-5-methyloxolan-2-yl]methanone
CID 72941989
4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707461
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(4-ethyl-3,5-dipropylphenyl)methanone
CID 22442260
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
CID 163462957
CID 163462957
[4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 66546959
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 21183936
6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)quinazolin-4-amine
CID 44604814
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]pent-2-en-1-one
CID 12837101

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).