(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone

C17H19N5O3 — CID 138689663

IUPAC(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone
SMILESCOc1cccc2c1nc(N)n1cc(C(=O)N3CCCOCC3)nc21
InChIInChI=1S/C17H19N5O3/c1-24-13-5-2-4-11-14(13)20-17(18)22-10-12(19-15(11)22)16(23)21-6-3-8-25-9-7-21/h2,4-5,10H,3,6-9H2,1H3,(H2,18,20)
InChIKeyGDIQUNPGSXEYDH-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.34
Rot. Bonds2

About (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone

(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 138689663) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone
PubChem CID138689663
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone
SMILESCOc1cccc2c1nc(N)n1cc(C(=O)N3CCCOCC3)nc21
InChIInChI=1S/C17H19N5O3/c1-24-13-5-2-4-11-14(13)20-17(18)22-10-12(19-15(11)22)16(23)21-6-3-8-25-9-7-21/h2,4-5,10H,3,6-9H2,1H3,(H2,18,20)
InChIKeyGDIQUNPGSXEYDH-UHFFFAOYSA-N
XLogP1.34
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone (CID 138689663) is (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone is COc1cccc2c1nc(N)n1cc(C(=O)N3CCCOCC3)nc21.
What is the InChIKey of (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is GDIQUNPGSXEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-24-13-5-2-4-11-14(13)20-17(18)22-10-12(19-15(11)22)16(23)21-6-3-8-25-9-7-21/h2,4-5,10H,3,6-9H2,1H3,(H2,18,20).
What are the key properties of (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone?
(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 341.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 138689663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).