naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate

C25H23N3O4 — CID 135400001

IUPACnaphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate
SMILESO=C(OCc1cccc2ccccc12)c1ccc2c(=O)[nH]c(CN3CCOCC3)nc2c1
InChIInChI=1S/C25H23N3O4/c29-24-21-9-8-18(14-22(21)26-23(27-24)15-28-10-12-31-13-11-28)25(30)32-16-19-6-3-5-17-4-1-2-7-20(17)19/h1-9,14H,10-13,15-16H2,(H,26,27,29)
InChIKeyZUFSNCSRLLBMHU-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.27
Rot. Bonds5

About naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate

naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate (PubChem CID 135400001) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate
PubChem CID135400001
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Namenaphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate
SMILESO=C(OCc1cccc2ccccc12)c1ccc2c(=O)[nH]c(CN3CCOCC3)nc2c1
InChIInChI=1S/C25H23N3O4/c29-24-21-9-8-18(14-22(21)26-23(27-24)15-28-10-12-31-13-11-28)25(30)32-16-19-6-3-5-17-4-1-2-7-20(17)19/h1-9,14H,10-13,15-16H2,(H,26,27,29)
InChIKeyZUFSNCSRLLBMHU-UHFFFAOYSA-N
XLogP3.27
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(1-phenylethylamino)ethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 4782118
Methyl 4-(4-oxobenzo[g]quinazoline-3-carbonyl)benzoate
CID 44330237
(4-cyanophenyl)methyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate
CID 135415436
(4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135512270
Antimalarial agent 2
CID 162640602
4-[[2-[(4-ethylphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]methoxymethyl]benzoic acid
CID 164609489
4-[[2-[(3-ethylphenyl)methylcarbamoyl]-8-fluoro-4-oxo-3H-quinazolin-5-yl]methoxymethyl]benzoic acid
CID 164609790
4-[[4-oxo-2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-3H-quinazolin-5-yl]methoxymethyl]benzoic acid
CID 164613948
5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 164620712
4-[[2-(benzylcarbamoyl)-4-oxo-3H-quinazolin-5-yl]methoxymethyl]benzoic acid
CID 164623099
2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one
CID 127027429
4-oxo-6-[3-(trifluoromethyl)phenyl]-N-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3H-quinazoline-7-carboxamide
CID 162648588

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate (CID 135400001) is naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate is O=C(OCc1cccc2ccccc12)c1ccc2c(=O)[nH]c(CN3CCOCC3)nc2c1.
What is the InChIKey of naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate?
The InChIKey is ZUFSNCSRLLBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c29-24-21-9-8-18(14-22(21)26-23(27-24)15-28-10-12-31-13-11-28)25(30)32-16-19-6-3-5-17-4-1-2-7-20(17)19/h1-9,14H,10-13,15-16H2,(H,26,27,29).
What are the key properties of naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate?
naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate has a molecular weight of 429.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate is sourced from PubChem (CID 135400001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).