N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide

C17H19N3O3 — CID 136569834

IUPACN-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NC1CCOC12CCCC2)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H19N3O3/c21-15-11-5-1-2-6-12(11)18-14(20-15)16(22)19-13-7-10-23-17(13)8-3-4-9-17/h1-2,5-6,13H,3-4,7-10H2,(H,19,22)(H,18,20,21)
InChIKeyHNMYDPWPNOYNHA-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.75
Rot. Bonds2

About N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide

N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136569834) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136569834
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NC1CCOC12CCCC2)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H19N3O3/c21-15-11-5-1-2-6-12(11)18-14(20-15)16(22)19-13-7-10-23-17(13)8-3-4-9-17/h1-2,5-6,13H,3-4,7-10H2,(H,19,22)(H,18,20,21)
InChIKeyHNMYDPWPNOYNHA-UHFFFAOYSA-N
XLogP1.75
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide
CID 175644530
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136920277
N-[(3aR,5S,6S,7aS)-6-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 172671264
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
CID 136776065
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
2-(1-bromoethenyl)-3H-quinazolin-4-one
CID 136903471
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
(1S,5R)-4-(4-oxo-3H-quinazoline-2-carbonyl)-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 155492859

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide (CID 136569834) is N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide is O=C(NC1CCOC12CCCC2)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is HNMYDPWPNOYNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-15-11-5-1-2-6-12(11)18-14(20-15)16(22)19-13-7-10-23-17(13)8-3-4-9-17/h1-2,5-6,13H,3-4,7-10H2,(H,19,22)(H,18,20,21).
What are the key properties of N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide?
N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136569834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).