1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine

C18H19ClN4O3 — CID 71945968

IUPAC1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine
SMILESCOc1cc(-c2nc(N(C)N)nc3ccc(Cl)cc23)cc(OC)c1OC
InChIInChI=1S/C18H19ClN4O3/c1-23(20)18-21-13-6-5-11(19)9-12(13)16(22-18)10-7-14(24-2)17(26-4)15(8-10)25-3/h5-9H,20H2,1-4H3
InChIKeyHTNVUTBFRMBNHX-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.29
Rot. Bonds5

About 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine

1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine (PubChem CID 71945968) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine
PubChem CID71945968
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine
SMILESCOc1cc(-c2nc(N(C)N)nc3ccc(Cl)cc23)cc(OC)c1OC
InChIInChI=1S/C18H19ClN4O3/c1-23(20)18-21-13-6-5-11(19)9-12(13)16(22-18)10-7-14(24-2)17(26-4)15(8-10)25-3/h5-9H,20H2,1-4H3
InChIKeyHTNVUTBFRMBNHX-UHFFFAOYSA-N
XLogP3.29
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
CID 155552377
6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine
CID 15948809
4-[5-(2-amino-6-chloroquinazolin-4-yl)-2-methoxyphenoxy]butanoic acid
CID 15947131
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
6-chloro-4-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]quinazolin-2-amine
CID 67198127
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one
CID 164610190
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850
4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine
CID 69016736
4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 63085689
7-chloro-4-methoxy-2-methylquinoline
CID 82581159
5-[5-chloro-2-[4-chloro-2-(3,4,5-trimethoxyphenyl)phenyl]seleninylphenyl]-1,2,3-trimethoxybenzene
CID 141321860

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine?
The IUPAC name of 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine (CID 71945968) is 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine.
What is the SMILES notation for 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine?
The canonical SMILES for 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine is COc1cc(-c2nc(N(C)N)nc3ccc(Cl)cc23)cc(OC)c1OC.
What is the InChIKey of 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine?
The InChIKey is HTNVUTBFRMBNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-23(20)18-21-13-6-5-11(19)9-12(13)16(22-18)10-7-14(24-2)17(26-4)15(8-10)25-3/h5-9H,20H2,1-4H3.
What are the key properties of 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine?
1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine has a molecular weight of 374.83 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(3,4,5-trimethoxyphenyl)quinazolin-2-yl]-1-methylhydrazine is sourced from PubChem (CID 71945968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).