methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate

C26H27N3O4 — CID 135910094

IUPACmethyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
SMILESCCCOc1ccc2ccccc2c1CN(C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1
InChIInChI=1S/C26H27N3O4/c1-4-13-33-23-12-10-17-7-5-6-8-19(17)21(23)15-29(2)16-24-27-22-14-18(26(31)32-3)9-11-20(22)25(30)28-24/h5-12,14H,4,13,15-16H2,1-3H3,(H,27,28,30)
InChIKeyJUUBKCFDDAMPBN-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.28
Rot. Bonds8

About methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate

methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate (PubChem CID 135910094) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
PubChem CID135910094
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Namemethyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
SMILESCCCOc1ccc2ccccc2c1CN(C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1
InChIInChI=1S/C26H27N3O4/c1-4-13-33-23-12-10-17-7-5-6-8-19(17)21(23)15-29(2)16-24-27-22-14-18(26(31)32-3)9-11-20(22)25(30)28-24/h5-12,14H,4,13,15-16H2,1-3H3,(H,27,28,30)
InChIKeyJUUBKCFDDAMPBN-UHFFFAOYSA-N
XLogP4.28
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135687396
methyl 2-[(N-methylanilino)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135549207
methyl 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135939363
methyl 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135901406
methyl 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 154754301
methyl 4-oxo-2-[(2,4,5-trichlorophenoxy)methyl]-3H-quinazoline-7-carboxylate
CID 135887550
methyl 2-[(2,5-dichlorophenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135836476
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
methyl 4-oxo-2-[[1-(4-phenylphenyl)ethylamino]methyl]-3H-quinazoline-7-carboxylate
CID 135997872
methyl 4-oxo-2-[(N'-propylcarbamimidoyl)sulfanylmethyl]-3H-quinazoline-7-carboxylate
CID 135729701
methyl 4-oxo-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-quinazoline-7-carboxylate
CID 135794490
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate?
The IUPAC name of methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate (CID 135910094) is methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate?
The canonical SMILES for methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate is CCCOc1ccc2ccccc2c1CN(C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1.
What is the InChIKey of methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate?
The InChIKey is JUUBKCFDDAMPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-4-13-33-23-12-10-17-7-5-6-8-19(17)21(23)15-29(2)16-24-27-22-14-18(26(31)32-3)9-11-20(22)25(30)28-24/h5-12,14H,4,13,15-16H2,1-3H3,(H,27,28,30).
What are the key properties of methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate?
methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate has a molecular weight of 445.52 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate is sourced from PubChem (CID 135910094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).