4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide

C19H20N4O3 — CID 66763206

IUPAC4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOCCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C19H20N4O3/c1-25-8-9-26-14-5-2-4-13(10-14)11-21-19-16-7-3-6-15(18(20)24)17(16)22-12-23-19/h2-7,10,12H,8-9,11H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyGFZHGSPTJMHXMK-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.37
Rot. Bonds8

About 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763206) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763206
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOCCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C19H20N4O3/c1-25-8-9-26-14-5-2-4-13(10-14)11-21-19-16-7-3-6-15(18(20)24)17(16)22-12-23-19/h2-7,10,12H,8-9,11H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyGFZHGSPTJMHXMK-UHFFFAOYSA-N
XLogP2.37
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[[3-(3-methoxypropoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763383
4-[[3-[[2-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763633
CID 89044301
CID 89044301
4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763665
4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 148696333
4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
CID 66762390
4-[[3-[(4-methoxybenzoyl)amino]-4-methylphenyl]methylamino]quinazoline-8-carboxamide
CID 66763555
4-[[3-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762042
4-[[3-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 147809448
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
4-[[3-[(7-methylisoquinolin-1-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762648
4-[[3-[2-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 158687312

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide (CID 66763206) is 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide is COCCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1.
What is the InChIKey of 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is GFZHGSPTJMHXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-8-9-26-14-5-2-4-13(10-14)11-21-19-16-7-3-6-15(18(20)24)17(16)22-12-23-19/h2-7,10,12H,8-9,11H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).