6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine

C19H22N4O3 — CID 44523304

IUPAC6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine
SMILESCOc1ccc(C(C)Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C19H22N4O3/c1-11(12-5-7-13(24-2)8-6-12)21-19-22-15-10-17(26-4)16(25-3)9-14(15)18(20)23-19/h5-11H,1-4H3,(H3,20,21,22,23)
InChIKeyREHCKNZYPZDGNS-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.41
Rot. Bonds6

About 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine

6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine (PubChem CID 44523304) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine
PubChem CID44523304
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine
SMILESCOc1ccc(C(C)Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C19H22N4O3/c1-11(12-5-7-13(24-2)8-6-12)21-19-22-15-10-17(26-4)16(25-3)9-14(15)18(20)23-19/h5-11H,1-4H3,(H3,20,21,22,23)
InChIKeyREHCKNZYPZDGNS-UHFFFAOYSA-N
XLogP3.41
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 133333792
6,7-dimethoxy-2-N-(1-phenyl-2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
CID 133316627
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
CID 117094579
6,7-dimethoxy-2-N-(4-nitrophenyl)quinazoline-2,4-diamine
CID 57328727
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 174181337
6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
CID 166201680
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656
3-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276482
2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine
CID 158035672
2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine
CID 169132977
2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 74239658

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine (CID 44523304) is 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine is COc1ccc(C(C)Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1.
What is the InChIKey of 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine?
The InChIKey is REHCKNZYPZDGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11(12-5-7-13(24-2)8-6-12)21-19-22-15-10-17(26-4)16(25-3)9-14(15)18(20)23-19/h5-11H,1-4H3,(H3,20,21,22,23).
What are the key properties of 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine has a molecular weight of 354.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 44523304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).