2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one

C16H17N3O2 — CID 156775385

IUPAC2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one
SMILESNc1nc2c(c(=O)[nH]1)CCC1(CCOc3ccccc31)C2
InChIInChI=1S/C16H17N3O2/c17-15-18-12-9-16(6-5-10(12)14(20)19-15)7-8-21-13-4-2-1-3-11(13)16/h1-4H,5-9H2,(H3,17,18,19,20)
InChIKeyXNPULCVDHANVHT-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.56
Rot. Bonds

About 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one

2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one (PubChem CID 156775385) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one.

Molecular Properties

Compound Name2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one
PubChem CID156775385
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one
SMILESNc1nc2c(c(=O)[nH]1)CCC1(CCOc3ccccc31)C2
InChIInChI=1S/C16H17N3O2/c17-15-18-12-9-16(6-5-10(12)14(20)19-15)7-8-21-13-4-2-1-3-11(13)16/h1-4H,5-9H2,(H3,17,18,19,20)
InChIKeyXNPULCVDHANVHT-UHFFFAOYSA-N
XLogP1.56
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one?
The IUPAC name of 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one (CID 156775385) is 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one.
What is the SMILES notation for 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one?
The canonical SMILES for 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one is Nc1nc2c(c(=O)[nH]1)CCC1(CCOc3ccccc31)C2.
What is the InChIKey of 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one?
The InChIKey is XNPULCVDHANVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-15-18-12-9-16(6-5-10(12)14(20)19-15)7-8-21-13-4-2-1-3-11(13)16/h1-4H,5-9H2,(H3,17,18,19,20).
What are the key properties of 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one?
2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one has a molecular weight of 283.33 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-aminospiro[2,3-dihydrochromene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one is sourced from PubChem (CID 156775385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).