3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide

C21H22N4O4 — CID 91796540

IUPAC3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C21H22N4O4/c26-19(8-11-25-14-23-16-6-2-1-5-15(16)21(25)27)24-17-13-28-12-9-18(17)29-20-7-3-4-10-22-20/h1-7,10,14,17-18H,8-9,11-13H2,(H,24,26)/t17-,18-/m1/s1
InChIKeyWVBJJXXKLRDASM-QZTJIDSGSA-N
MW394.43 g/mol
LogP1.53
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide (PubChem CID 91796540) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
PubChem CID91796540
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C21H22N4O4/c26-19(8-11-25-14-23-16-6-2-1-5-15(16)21(25)27)24-17-13-28-12-9-18(17)29-20-7-3-4-10-22-20/h1-7,10,14,17-18H,8-9,11-13H2,(H,24,26)/t17-,18-/m1/s1
InChIKeyWVBJJXXKLRDASM-QZTJIDSGSA-N
XLogP1.53
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide (CID 91796540) is 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide is O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1COCC[C@H]1Oc1ccccn1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide?
The InChIKey is WVBJJXXKLRDASM-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-19(8-11-25-14-23-16-6-2-1-5-15(16)21(25)27)24-17-13-28-12-9-18(17)29-20-7-3-4-10-22-20/h1-7,10,14,17-18H,8-9,11-13H2,(H,24,26)/t17-,18-/m1/s1.
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide has a molecular weight of 394.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide is sourced from PubChem (CID 91796540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).