2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C20H17N5O2 — CID 46926019

IUPAC2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccncc1)N=C(Nc1nc3ccccc3o1)N2
InChIInChI=1S/C20H17N5O2/c26-15-6-3-5-14-17(15)18(12-8-10-21-11-9-12)24-19(22-14)25-20-23-13-4-1-2-7-16(13)27-20/h1-2,4,7-11,18H,3,5-6H2,(H2,22,23,24,25)
InChIKeyNWRCGMAAWGAEJX-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.34
Rot. Bonds2

About 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 46926019) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID46926019
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccncc1)N=C(Nc1nc3ccccc3o1)N2
InChIInChI=1S/C20H17N5O2/c26-15-6-3-5-14-17(15)18(12-8-10-21-11-9-12)24-19(22-14)25-20-23-13-4-1-2-7-16(13)27-20/h1-2,4,7-11,18H,3,5-6H2,(H2,22,23,24,25)
InChIKeyNWRCGMAAWGAEJX-UHFFFAOYSA-N
XLogP3.34
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 46926019) is 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is O=C1CCCC2=C1C(c1ccncc1)N=C(Nc1nc3ccccc3o1)N2.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is NWRCGMAAWGAEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-15-6-3-5-14-17(15)18(12-8-10-21-11-9-12)24-19(22-14)25-20-23-13-4-1-2-7-16(13)27-20/h1-2,4,7-11,18H,3,5-6H2,(H2,22,23,24,25).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 359.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 46926019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).