2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

C21H25N3O3 — CID 69312797

IUPAC2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCCCc1nc(NCc2cc(OC)c(OC)c(OC)c2)c2ccccc2n1
InChIInChI=1S/C21H25N3O3/c1-5-8-19-23-16-10-7-6-9-15(16)21(24-19)22-13-14-11-17(25-2)20(27-4)18(12-14)26-3/h6-7,9-12H,5,8,13H2,1-4H3,(H,22,23,24)
InChIKeyKVMWJRUNSGGMKH-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.22
Rot. Bonds8

About 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 69312797) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID69312797
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCCCc1nc(NCc2cc(OC)c(OC)c(OC)c2)c2ccccc2n1
InChIInChI=1S/C21H25N3O3/c1-5-8-19-23-16-10-7-6-9-15(16)21(24-19)22-13-14-11-17(25-2)20(27-4)18(12-14)26-3/h6-7,9-12H,5,8,13H2,1-4H3,(H,22,23,24)
InChIKeyKVMWJRUNSGGMKH-UHFFFAOYSA-N
XLogP4.22
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
N-(4-methoxyphenyl)-2-propylquinazolin-4-amine
CID 10756141
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-(2-aminoethyl)-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]quinazolin-4-amine
CID 95127666
2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 69221521
[5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol
CID 88869888
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
N-[(3,5-dimethoxyphenyl)methyl]-2-ethylsulfanylquinazolin-4-amine
CID 11653306
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
CID 68519751
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine (CID 69312797) is 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine is CCCc1nc(NCc2cc(OC)c(OC)c(OC)c2)c2ccccc2n1.
What is the InChIKey of 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is KVMWJRUNSGGMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-8-19-23-16-10-7-6-9-15(16)21(24-19)22-13-14-11-17(25-2)20(27-4)18(12-14)26-3/h6-7,9-12H,5,8,13H2,1-4H3,(H,22,23,24).
What are the key properties of 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 367.45 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 69312797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).