6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine

C22H19N5O — CID 67424710

IUPAC6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(C=NN)cc23)ccc1Oc1ccccc1
InChIInChI=1S/C22H19N5O/c1-15-11-17(8-10-21(15)28-18-5-3-2-4-6-18)27-22-19-12-16(13-26-23)7-9-20(19)24-14-25-22/h2-14H,23H2,1H3,(H,24,25,27)
InChIKeyBNLAIUFZYFDJRX-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.77
Rot. Bonds5

About 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine

6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine (PubChem CID 67424710) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
PubChem CID67424710
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(C=NN)cc23)ccc1Oc1ccccc1
InChIInChI=1S/C22H19N5O/c1-15-11-17(8-10-21(15)28-18-5-3-2-4-6-18)27-22-19-12-16(13-26-23)7-9-20(19)24-14-25-22/h2-14H,23H2,1H3,(H,24,25,27)
InChIKeyBNLAIUFZYFDJRX-UHFFFAOYSA-N
XLogP4.77
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]methylideneamino]morpholine-4-carboximidamide
CID 172936273
6-(3-aminobut-1-ynyl)-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 18616753
(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 22484233
6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234
N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine
CID 141045085
[4-(3-methyl-4-phenoxyanilino)-6-nitroquinazolin-7-yl] trifluoromethanesulfonate
CID 146470038
N-(3-methyl-4-phenoxyphenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine
CID 22985695
[3-[4-(3-methyl-4-phenoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 10274930
3-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 18616393
3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 69485575
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]benzoic acid
CID 69053494
6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307

Frequently Asked Questions

What is the IUPAC name of 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine (CID 67424710) is 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(C=NN)cc23)ccc1Oc1ccccc1.
What is the InChIKey of 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is BNLAIUFZYFDJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-11-17(8-10-21(15)28-18-5-3-2-4-6-18)27-22-19-12-16(13-26-23)7-9-20(19)24-14-25-22/h2-14H,23H2,1H3,(H,24,25,27).
What are the key properties of 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine?
6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 67424710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).