2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate

C20H21N3O4 — CID 174593383

IUPAC2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate
SMILESCOc1ccc(CNc2ncnc3c(CCOC=O)cccc23)c(OC)c1
InChIInChI=1S/C20H21N3O4/c1-25-16-7-6-15(18(10-16)26-2)11-21-20-17-5-3-4-14(8-9-27-13-24)19(17)22-12-23-20/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,21,22,23)
InChIKeyPSONGCVMUHVJKE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.97
Rot. Bonds9

About 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate

2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate (PubChem CID 174593383) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate.

Molecular Properties

Compound Name2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate
PubChem CID174593383
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate
SMILESCOc1ccc(CNc2ncnc3c(CCOC=O)cccc23)c(OC)c1
InChIInChI=1S/C20H21N3O4/c1-25-16-7-6-15(18(10-16)26-2)11-21-20-17-5-3-4-14(8-9-27-13-24)19(17)22-12-23-20/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,21,22,23)
InChIKeyPSONGCVMUHVJKE-UHFFFAOYSA-N
XLogP2.97
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
N-(1-chloro-6-methylisoquinolin-5-yl)-4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 163272171
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
N-[(2,4-dimethoxyphenyl)methyl]-7-ethynylthieno[3,2-d]pyrimidin-4-amine
CID 165113737
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
1-N-[(2,4-dimethoxyphenyl)methyl]-5-N-ethyl-5-N-methylisoquinoline-1,5-diamine;ethane
CID 164902212
4-[(2,4-dimethoxyphenyl)methylamino]-N-[6-methyl-1-(2,4,6-trifluoroanilino)isoquinolin-5-yl]quinazoline-8-carboxamide
CID 163272159
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 171091121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate?
The IUPAC name of 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate (CID 174593383) is 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate.
What is the SMILES notation for 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate?
The canonical SMILES for 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate is COc1ccc(CNc2ncnc3c(CCOC=O)cccc23)c(OC)c1.
What is the InChIKey of 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate?
The InChIKey is PSONGCVMUHVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-16-7-6-15(18(10-16)26-2)11-21-20-17-5-3-4-14(8-9-27-13-24)19(17)22-12-23-20/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate?
2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate has a molecular weight of 367.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-8-yl]ethyl formate is sourced from PubChem (CID 174593383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).