(4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate

C21H15N3O3S — CID 27910124

IUPAC(4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESNc1nc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)nc2ccccc12
InChIInChI=1S/C21H15N3O3S/c22-20-13-5-1-3-7-15(13)23-18(24-20)11-27-21(25)17-9-12-10-26-16-8-4-2-6-14(16)19(12)28-17/h1-9H,10-11H2,(H2,22,23,24)
InChIKeyFNURILWQOMDSBD-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.19
Rot. Bonds3

About (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate

(4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 27910124) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID27910124
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC Name(4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESNc1nc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)nc2ccccc12
InChIInChI=1S/C21H15N3O3S/c22-20-13-5-1-3-7-15(13)23-18(24-20)11-27-21(25)17-9-12-10-26-16-8-4-2-6-14(16)19(12)28-17/h1-9H,10-11H2,(H2,22,23,24)
InChIKeyFNURILWQOMDSBD-UHFFFAOYSA-N
XLogP4.19
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate (CID 27910124) is (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate is Nc1nc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is FNURILWQOMDSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c22-20-13-5-1-3-7-15(13)23-18(24-20)11-27-21(25)17-9-12-10-26-16-8-4-2-6-14(16)19(12)28-17/h1-9H,10-11H2,(H2,22,23,24).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate?
(4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 389.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 27910124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).