5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol

C16H15N5O2 — CID 163888083

IUPAC5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol
SMILESOc1ccc2c3n(c(=NC(O)c4cccnc4)nc2c1)CCN3
InChIInChI=1S/C16H15N5O2/c22-11-3-4-12-13(8-11)19-16(21-7-6-18-14(12)21)20-15(23)10-2-1-5-17-9-10/h1-5,8-9,15,18,22-23H,6-7H2
InChIKeyVBXKBMMHJQFKGF-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.15
Rot. Bonds2

About 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol

5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol (PubChem CID 163888083) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol.

Molecular Properties

Compound Name5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol
PubChem CID163888083
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol
SMILESOc1ccc2c3n(c(=NC(O)c4cccnc4)nc2c1)CCN3
InChIInChI=1S/C16H15N5O2/c22-11-3-4-12-13(8-11)19-16(21-7-6-18-14(12)21)20-15(23)10-2-1-5-17-9-10/h1-5,8-9,15,18,22-23H,6-7H2
InChIKeyVBXKBMMHJQFKGF-UHFFFAOYSA-N
XLogP1.15
TPSA95.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol?
The IUPAC name of 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol (CID 163888083) is 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol.
What is the SMILES notation for 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol?
The canonical SMILES for 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol is Oc1ccc2c3n(c(=NC(O)c4cccnc4)nc2c1)CCN3.
What is the InChIKey of 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol?
The InChIKey is VBXKBMMHJQFKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-11-3-4-12-13(8-11)19-16(21-7-6-18-14(12)21)20-15(23)10-2-1-5-17-9-10/h1-5,8-9,15,18,22-23H,6-7H2.
What are the key properties of 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol?
5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol has a molecular weight of 309.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(pyridin-3-yl)methyl]imino-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-ol is sourced from PubChem (CID 163888083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).