4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide

C19H21N5O3 — CID 46869252

IUPAC4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1OC
InChIInChI=1S/C19H21N5O3/c1-26-15-7-6-11(8-16(15)27-2)14(9-20)24-19-13-5-3-4-12(18(21)25)17(13)22-10-23-19/h3-8,10,14H,9,20H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeySGZFLJKVODZGJM-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.86
Rot. Bonds7

About 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide

4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide (PubChem CID 46869252) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
PubChem CID46869252
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1OC
InChIInChI=1S/C19H21N5O3/c1-26-15-7-6-11(8-16(15)27-2)14(9-20)24-19-13-5-3-4-12(18(21)25)17(13)22-10-23-19/h3-8,10,14H,9,20H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeySGZFLJKVODZGJM-UHFFFAOYSA-N
XLogP1.86
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide (CID 46869252) is 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide is COc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1OC.
What is the InChIKey of 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is SGZFLJKVODZGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-26-15-7-6-11(8-16(15)27-2)14(9-20)24-19-13-5-3-4-12(18(21)25)17(13)22-10-23-19/h3-8,10,14H,9,20H2,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide?
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 46869252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).